1-Phenyl-1-cyclopentanecarboxylic acid - CAS 77-55-4

Catalog:	BB035989
Product Name:	1-Phenyl-1-cyclopentanecarboxylic acid
CAS:	77-55-4
Synonyms:	1-phenylcyclopentane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	1-phenylcyclopentane-1-carboxylic acid
Description:	1-Phenyl-1-cyclopentanecarboxylic acid (CAS# 77-55-4) is a useful research chemical.
Molecular Weight:	190.24
Molecular Formula:	C12H14O2
Canonical SMILES:	C1CCC(C1)(C2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChI Key:	RHPCYZLXNNRRMB-UHFFFAOYSA-N
Boiling Point:	338.8 °C at 760 mmHg
Density:	1.162 g/cm³
Appearance:	Cream to grey-brown powder
MDL:	MFCD00001372
LogP:	2.58300

Publication Number	Title	Priority Date
CN-113061098-A	Amide compound and derivative thereof, preparation method, pharmaceutical composition and application	20210118
CN-111499644-A	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
CN-111499644-B	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
CN-111377838-A	Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof	20200309
CN-111377838-B	Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof	20200309

PMID	Publication Date	Title	Journal
21834094	20111004	Optimisation of the anti-Trypanosoma brucei activity of the opioid agonist U50488	ChemMedChem
21754525	20110501	N,N-Dimethylpyridin-4-aminium 1-phenyl-cyclo-pentane-1-carboxyl-ate monohydrate	Acta crystallographica. Section E, Structure reports online
21522318	20110202	Pyrimidin-2-amine-1-phenyl-cyclo-pentane-1-carb-oxy-lic acid (1/1)	Acta crystallographica. Section E, Structure reports online
19237229	20090601	New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3	European journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.099379685
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.099379685
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8