CAS 16713-66-9 | 1,1-Cyclopentanediacetic acid | CAS Number 16713-66-9

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16713-66-9 | 1,1-Cyclopentanediacetic acid

CAS No: 16713-66-9 Catalog No: AG001X59 MDL No:MFCD00001388

Product Description

Catalog Number:

AG001X59

Chemical Name:

1,1-Cyclopentanediacetic acid

CAS Number:

16713-66-9

Molecular Formula:

C9H14O4

Molecular Weight:

186.2051

MDL Number:

MFCD00001388

IUPAC Name:

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

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

SMILES:

OC(=O)CC1(CCCC1)CC(=O)O

EC Number:

240-761-8

NSC Number:

39838

Properties

Complexity:

198

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.207g/mol

Monoisotopic Mass:

186.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Single-step separation of bioactive flavonol glucosides from Osteomeles schwerinae by high-speed counter-current chromatography.	Journal of separation science 20100301
Inhibitors of aldose reductase and formation of advanced glycation end-products in moutan cortex (Paeonia suffruticosa).	Journal of natural products 20090801
Calorimetric and computational thermochemical study of 3,3-tetramethyleneglutaric acid, 3,3-tetramethyleneglutaric anhydride, and 3,3-tetramethyleneglutarimide.	The journal of physical chemistry. A 20081009