Methyl 3-Hydroxycyclopentanecarboxylate - CAS 32811-76-0

Catalog:	BB021423
Product Name:	Methyl 3-Hydroxycyclopentanecarboxylate
CAS:	32811-76-0
Synonyms:	3-hydroxy-1-cyclopentanecarboxylic acid methyl ester; methyl 3-hydroxycyclopentane-1-carboxylate

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Computed Properties

IUPAC Name:	methyl 3-hydroxycyclopentane-1-carboxylate
Description:	Methyl 3-Hydroxycyclopentanecarboxylate (CAS# 32811-76-0 ) is a useful research chemical.
Molecular Weight:	144.17
Molecular Formula:	C7H12O3
Canonical SMILES:	COC(=O)C1CCC(C1)O
InChI:	InChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3
InChI Key:	ASZRODBLMORHAR-UHFFFAOYSA-N
Boiling Point:	57 °C (0.1 mmHg)
LogP:	0.32040

Publication Number	Title	Priority Date
WO-2020070088-A1	Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease	20181003
CN-112912371-A	Flavone derivatives for treating and preventing hepatitis B virus diseases	20181003
EP-3860984-A1	Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease	20181003
US-2019308947-A1	Inhibitors of rho/mrtf/srf-mediated gene transcription and methods for use of the same	20180406
WO-2019195641-A2	Inhibitors of rho/mrtf/srf-mediated gene transcription and methods for use of the same	20180406

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/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

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.078644241
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.078644241
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3