4-Phenylcyclohexanecarboxylic Acid - CAS 7494-76-0

Catalog:	BB035196
Product Name:	4-Phenylcyclohexanecarboxylic Acid
CAS:	7494-76-0
Synonyms:	4-phenyl-1-cyclohexanecarboxylic acid; 4-phenylcyclohexane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-phenylcyclohexane-1-carboxylic acid
Description:	4-Phenylcyclohexanecarboxylic Acid (CAS# 7494-76-0) is a useful research chemical.
Molecular Weight:	204.26
Molecular Formula:	C13H16O2
Canonical SMILES:	C1CC(CCC1C2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,15)
InChI Key:	SYYSTPDYCASVSQ-UHFFFAOYSA-N
Boiling Point:	360 °C at 760 mmHg
Density:	1.116 g/cm³
Appearance:	Solid
MDL:	MFCD00452664
LogP:	3.04500

Publication Number	Title	Priority Date
WO-2020069330-A2	Inhibitors of vap-1	20180928
CN-113164454-A	Inhibitors of VAP-1	20180928
EP-3856176-A2	Inhibitors of vap-1	20180928
US-2020057369-A1	Salt, acid generator, resist composition and method for producing resist pattern	20180817
US-2019100710-A1	Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same	20170929

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.115029749
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.115029749
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1