Cyclopentane-1,1-dicarboxylic Acid - CAS 5802-65-3

Catalog:	BB029906
Product Name:	Cyclopentane-1,1-dicarboxylic Acid
CAS:	5802-65-3
Synonyms:	cyclopentane-1,1-dicarboxylic acid; cyclopentane-1,1-dicarboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	cyclopentane-1,1-dicarboxylic acid
Description:	Cyclopentane-1,1-dicarboxylic Acid (CAS# 5802-65-3) is a useful research chemical.
Molecular Weight:	158.15
Molecular Formula:	C7H10O4
Canonical SMILES:	C1CCC(C1)(C(=O)O)C(=O)O
InChI:	InChI=1S/C7H10O4/c8-5(9)7(6(10)11)3-1-2-4-7/h1-4H2,(H,8,9)(H,10,11)
InChI Key:	YZFOGXKZTWZVFN-UHFFFAOYSA-N
Boiling Point:	368.9 °C at 760 mmHg
Density:	1.416 g/cm³
MDL:	MFCD00029146
LogP:	0.71600

Publication Number	Title	Priority Date
WO-2021125319-A1	Liquid crystal aligning agent, radical generation film and method for producing in-plane switching liquid crystal cell	20191218
WO-2021125327-A1	Method for manufacturing patterned liquid crystal display element	20191218
WO-2021125329-A1	Radical generation film-forming composition, radical generation film, and method for manufacturing horizontal-electric-field liquid crystal cell	20191218
WO-2021117762-A1	Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device	20191211
US-2021154533-A1	Golf ball	20191126

PMID	Publication Date	Title	Journal
20541405	20100715	Synthesis and SAR of potent inhibitors of the Hepatitis C virus NS3/4A protease: exploration of P2 quinazoline substituents	Bioorganic & medicinal chemistry letters
16675222	20060801	Potent inhibitors of the hepatitis C virus NS3 protease: use of a novel P2 cyclopentane-derived template	Bioorganic & medicinal chemistry

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Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0579088
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.0579088
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9