1,1-Cyclopentanediacetic Acid

Inquiry

Molecular Formula:

C9H14O4

Molecular Weight:

186.21

CAS Number:

16713-66-9

Catalog Number:

16713-66-9

Product Information

Molecular Formula:

C9H14O4

Molecular Weight:

186.21

Description

1,1-Cyclopentanediacetic Acid (CAS# 16713-66-9) is a useful research chemical.

Synonyms

2-[1-(carboxymethyl)cyclopentyl]acetic acid; 2-[1-(carboxymethyl)cyclopentyl]acetic acid

IUPAC Name

2-[1-(carboxymethyl)cyclopentyl]acetic acid

Canonical SMILES

C1CCC(C1)(CC(=O)O)CC(=O)O

InChI

InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)

InChI Key

FWPVKDFOUXHOKQ-UHFFFAOYSA-N

Boiling Point

396.2 ℃ at 760 mmHg

Melting Point

177 ℃

Purity

> 98.0 % (GC) (T)

Density

1.228 g/cm³

Appearance

White to almost white powder to crystal

LogP

1.49620

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

1.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

186.08920892 g/mol

Monoisotopic Mass

186.08920892 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

198

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
WO-2022044823-A1	Layered body and display device	2020-08-31
WO-2021232015-A1	Platelet derived extracellular vesicles	2020-05-15
WO-2021217028-A1	Compositions and methods for in vivo lung and blood sno repletion	2020-04-23
JP-2021165023-A	Laminated product for packaging bag and its manufacturing method	2020-04-08
JP-6994634-B2	Laminate for packaging bag and its manufacturing method	2020-04-08
TW-202138395-A	Curable resin composition, cured film and display device	2020-03-31
TW-202138539-A	Curable resin composition, cured film and display device	2020-03-31
US-2021290241-A1	Microstructured hemostat	2020-03-18
WO-2021188559-A1	Microstructured hemostat	2020-03-18
JP-2021138856-A	Overcoat and printed matter	2020-03-06

Literatures

PMID	Publication Date	Title	Journal
20127917	2010-03-01	Single-step separation of bioactive flavonol glucosides from Osteomeles schwerinae by high-speed counter-current chromatography	Journal of separation science
19670875	2009-08-01	Inhibitors of aldose reductase and formation of advanced glycation end-products in moutan cortex (Paeonia suffruticosa)	Journal of natural products
18774787	2008-10-09	Calorimetric and computational thermochemical study of 3,3-tetramethyleneglutaric acid, 3,3-tetramethyleneglutaric anhydride, and 3,3-tetramethyleneglutarimide	The journal of physical chemistry. A

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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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