Oxetane,3-(2-propen-1-yloxy)-

Inquiry

Molecular Formula:

C6H10O2

Molecular Weight:

114.14

CAS Number:

6777-00-0

Catalog Number:

6777-00-0

Product Information

Molecular Formula:

C6H10O2

Molecular Weight:

114.14

Description

Oxetane,3-(2-propen-1-yloxy)- is a biomedical compound used in the drug development of various diseases. It demonstrates potential as an antineoplastic agent, primarily targeting cancer cells. Additionally, this compound exhibits anti-inflammatory properties and may be effective in reducing pain and inflammation associated with certain conditions.

Synonyms

3-(Allyloxy)oxetane; 3-prop-2-enoxyoxetane; 3-(PROP-2-EN-1-YLOXY)OXETANE; EINECS 229-838-7; Oxetane,3-(2-propen-1-yloxy)-; 3-(Allyloxy)oxetane, >/=97%

IUPAC Name

3-prop-2-enoxyoxetane

Canonical SMILES

C=CCOC1COC1

InChI

InChI=1S/C6H10O2/c1-2-3-8-6-4-7-5-6/h2,6H,1,3-5H2

InChI Key

NONFBYUIHZQHQT-UHFFFAOYSA-N

Boiling Point

64 °C/25 mmHg

Flash Point

42 °C

Purity

>97.0%(GC)

Density

0.98

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

1.44

Safety Information

Hazards

H315 H319

Precautionary Statement

P501 P240 P210 P233 P243 P241 P242 P271 P264 P280 P370 + P378 P337 + P313 P305 + P351 + P338 P361 + P364 P303 + P361 + P353 P332 + P313 P301 + P310 + P330 P304 + P340 + P311 P403 + P233 P403 + P235 P405

Computed Properties

XLogP3

0.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

114.068079557 g/mol

Monoisotopic Mass

114.068079557 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

76.6

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Oxetane,3-(2-propen-1-yloxy)-

Product Information

Safety Information

Computed Properties

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