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(±)-cis-Cyclopentane-1,2-dicarboxylic acid

(±)-cis-Cyclopentane-1,2-dicarboxylic acid - CAS 1461-96-7

Catalog:	BB010056
Product Name:	(±)-cis-Cyclopentane-1,2-dicarboxylic acid
CAS:	1461-96-7
Synonyms:	(1R,2S)-cyclopentane-1,2-dicarboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	(1S,2R)-cyclopentane-1,2-dicarboxylic acid
Description:	(±)-cis-Cyclopentane-1,2-dicarboxylic acid (CAS# 1461-96-7) is a Possible inhibitor of prolidase.
Molecular Weight:	158.15
Molecular Formula:	C7H10O4
Canonical SMILES:	C1CC(C(C1)C(=O)O)C(=O)O
InChI:	InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
InChI Key:	ASJCSAKCMTWGAH-SYDPRGILSA-N
Boiling Point:	378.6 °C at 760 mmHg
Purity:	> 98 %
Density:	1.396 g/cm³
Appearance:	White fine crystals with lumps
LogP:	0.57190

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GHS Hazard Statement:	H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	158.05790880
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.05790880
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3