2-(4-Methylcyclohexylidene)acetic acid - CAS 77842-31-0

Catalog:	BB059210
Product Name:	2-(4-Methylcyclohexylidene)acetic acid
CAS:	77842-31-0
Synonyms:	2-(4-methylcyclohexylidene)acetic Acid; (4-Methylcyclohexylidene)acetic acid; 2-(4-Methylcyclohexylidene)aceticacid; 4-Methyl-cyclohexylidenessigsaure

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-methylcyclohexylidene)acetic acid
Description:	2-(4-Methylcyclohexylidene)acetic acid
Molecular Weight:	154.21
Molecular Formula:	C9H14O2
Canonical SMILES:	CC1CCC(=CC(=O)O)CC1
InChI:	InChI=1S/C9H14O2/c1-7-2-4-8(5-3-7)6-9(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChI Key:	GHWHMSBKFOPPFM-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-112430183-A	Preparation method of axial chiral 4-substituted cyclohexylidene aryl acetate compound	20201101
CN-112430183-B	Preparation method of axial chiral 4-substituted cyclohexylidene aryl acetate compound	20201101
WO-2017001408-A1	Pyridazinones as herbicidal compounds	20150702
DE-102013204070-A1	Use of cosmetically or dermatologically acceptable substituted Michael acceptors for the prevention, reduction or prophylaxis of the tyrosinase activity of the human skin and / or its lightening	20130311
EP-2969029-A2	Use of cosmetically or dermatologically safe substituted michael acceptors for the prevention, reduction or prophylaxis of the tyrosinase activity of the human skin and/or the lightening of the human skin	20130311
EP-2969029-B1	Use of cosmetically or dermatologically safe substituted michael acceptors for the prevention, reduction or prophylaxis of the tyrosinase activity of the human skin and/or the lightening of the human skin	20130311
WO-2014139756-A2	Use of cosmetically or dermatologically safe substituted michael acceptors for the prevention, reduction or prophylaxis of the tyrosinase activity of the human skin and/or the lightening of the human skin	20130311
WO-2012083145-A1	Glucosamine derivatives	20101217
JP-2004315376-A	Method for producing carboxylic acid ester	20030411
JP-4356344-B2	Method for producing carboxylic acid ester	20030411

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GHS Hazard Statement:	H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.099379685
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.099379685
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2