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trans-4-hydroxy-1-methylcyclohexane-1-carboxylic acid

trans-4-hydroxy-1-methylcyclohexane-1-carboxylic acid - CAS 76657-91-5

Catalog:	BB035664
Product Name:	trans-4-hydroxy-1-methylcyclohexane-1-carboxylic acid
CAS:	76657-91-5
Synonyms:	4-hydroxy-1-methyl-1-cyclohexanecarboxylic acid; 4-hydroxy-1-methylcyclohexane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-hydroxy-1-methylcyclohexane-1-carboxylic acid
Description:	trans-4-hydroxy-1-methylcyclohexane-1-carboxylic acid (CAS# 76657-91-5 ) is a useful research chemical.
Molecular Weight:	158.197
Molecular Formula:	C8H14O3
Canonical SMILES:	CC1(CCC(CC1)O)C(=O)O
InChI:	InChI=1S/C8H14O3/c1-8(7(10)11)4-2-6(9)3-5-8/h6,9H,2-5H2,1H3,(H,10,11)
InChI Key:	NRJADRDKYOBCKH-UHFFFAOYSA-N
LogP:	1.01220

Publication Number	Title	Priority Date
AU-2016224974-A1	Substituted pyrazole compounds as serine protease inhibitors	20150227
AU-2020200016-A1	Substituted pyrazole compounds as serine protease inhibitors	20150227
CA-2977993-A1	Substituted pyrazole compounds as serine protease inhibitors	20150227
EP-3261639-A1	Substituted pyrazole compounds as serine protease inhibitors	20150227
JP-2018506563-A	Substituted pyrazole compounds as serine protease inhibitors	20150227

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Related Functional Groups

Cyclohexane

[1228360-12-0]
ethyl (1S,3R,4S)-rel-3-fluoro-4-hydroxycyclohexane-1-carboxylate
[452333-58-3]
ethyl 4-fluorocyclohex-3-ene-1-carboxylate
[1184838-47-8]
(2,2-Difluoroethyl)cyclohexylamine
[1344110-31-1]
1-Amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
[920966-16-1]
tert-butyl N-[cis-3-(hydroxymethyl)cyclohexyl]carbamate
[38289-28-0]
4-Trans-butyl cyclohexane carboxylic acid

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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:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.094294304
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.094294304
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7