Vinylene carbonate

Inquiry

Molecular Formula:

C3H2O3

Molecular Weight:

86.05

CAS Number:

872-36-6

Catalog Number:

872-36-6

Product Information

Molecular Formula:

C3H2O3

Molecular Weight:

86.05

Description

Vinylene carbonate (CAS# 872-36-6) is an inhibitor of breast cancer stem cells, with greater than 23 fold selectivity of inhibition in the cell line.

Synonyms

1,3-dioxol-2-one

IUPAC Name

1,3-dioxol-2-one

Canonical SMILES

C1=COC(=O)O1

InChI

InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H

InChI Key

VAYTZRYEBVHVLE-UHFFFAOYSA-N

Boiling Point

162 °C

Melting Point

19-22 °C

Flash Point

176.0 °C

Purity

> 97.0 % (GC)

Density

1.355 g/cm³

Appearance

Clear colorless to light yellow liquid

Storage

2-8 °C

Refractive Index

1.42

LogP

0.23280

Safety Information

Hazards

H302 - H311 - H315 - H317 - H318 - H373 - H411

Precautionary Statement

P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P333+P313, P361, P362, P363, P391, P405, and P501

Signal Word

Danger

Computed Properties

XLogP3

0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

86.000393922 g/mol

Monoisotopic Mass

86.000393922 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

84.2

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2015380739-A1	Negative electrode plate for nonaqueous electrolyte secondary battery and method of producing the same	2014-06-30
US-2015366887-A1	Substituted nucleosides, nucleotides and analogs thereof	2014-06-24
WO-2015200205-A1	Substituted nucleosides, nucleotides and analogs thereof	2014-06-24
WO-2015200219-A1	Substituted nucleosides, nucleotides and analogs thereof	2014-06-24
WO-2015196088-A1	Porous silicon electrode and method	2014-06-20
WO-2015188932-A1	Electrolyte, cell and battery comprising the electrolyte, and use of the electrolyte	2014-06-12
WO-2015189094-A1	Process for producing microporous polyester membranes for electronic applications	2014-06-12
WO-2015192051-A1	Prelithiation solutions for lithium-ion batteries	2014-06-12
WO-2015185400-A1	Metal oxide coated cathodes comprising sulfur for electrochemical cells	2014-06-06
EP-2952518-A1	Organic Phosphonium Salts, a Method for their Preparation, and their Use in Electrochemical Systems	2014-06-05

Literatures

PMID	Publication Date	Title	Journal
20728357	2010-10-01	Novel amides and esters prodrugs of olmesartan: Synthesis, bioconversion, and pharmacokinetic evaluation	Bioorganic & medicinal chemistry letters
19539519	2009-09-15	Structural and vibrational studies of molecular conductors using quantum mechanical methods: 1,3-Dithiole-2-thione, 1,3-dithiole-2-one, 1,3-dioxole-2-one and 1,3-dioxole-2-thione	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21577778	2009-09-05	3-(6-Benz-yloxy-2,2-dimethyl-perhydro-furo[2,3-d][1,3]dioxolan-5-yl)-5-(4-chloro-phen-yl)-4-nitro-2-phenyl-2,3,4,5-tetra-hydro-isoxazole	Acta crystallographica. Section E, Structure reports online
21583959	2009-04-30	3-(6-Benz-yloxy-2,2-dimethyl-perhydro-furo[2,3-d][1,3]dioxol-5-yl)-5-(4-bromo-phen-yl)-2-phenyl-perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione	Acta crystallographica. Section E, Structure reports online
18646851	2008-08-20	End capping ring-opening olefin metathesis polymerization polymers with vinyl lactones	Journal of the American Chemical Society
16242651	2005-10-01	Supramolecular fluorophores for biological studies: phenylene vinylene-amino acid amphiphiles	Chemistry & biology
15548073	2004-11-25	Method for the rapid synthesis of highly functionalized 2-hydroxy-1-naphthoates. Syntheses of the naphthoic acid components of neocarzinostatin chromophore and N1999A2	Organic letters
15531783	2004-11-01	Immobilization of glucoamylase onto novel porous polymer supports of vinylene carbonate and 2-hydroxyethyl methacrylate	Applied biochemistry and biotechnology
15453764	2004-10-06	Chemoenzymatic synthesis and high-throughput screening of an aminoglycoside-polyamine library: identification of high-affinity displacers and DNA-binding ligands	Journal of the American Chemical Society
15803718	2004-02-17	Atomic force microscopy study on the stability of a surface film formed on a graphite negative electrode at elevated temperatures	Langmuir : the ACS journal of surfaces and colloids

The molarity calculator equation

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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