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1-(4-Methylphenyl)cyclobutanecarboxylic Acid

1-(4-Methylphenyl)cyclobutanecarboxylic Acid - CAS 50921-38-5

Catalog:	BB027274
Product Name:	1-(4-Methylphenyl)cyclobutanecarboxylic Acid
CAS:	50921-38-5
Synonyms:	1-(4-methylphenyl)-1-cyclobutanecarboxylic acid; 1-(4-methylphenyl)cyclobutane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-methylphenyl)cyclobutane-1-carboxylic acid
Description:	1-(4-Methylphenyl)cyclobutanecarboxylic Acid (CAS# 50921-38-5) is a useful research chemical.
Molecular Weight:	190.24
Molecular Formula:	C12H14O2
Canonical SMILES:	CC1=CC=C(C=C1)C2(CCC2)C(=O)O
InChI:	InChI=1S/C12H14O2/c1-9-3-5-10(6-4-9)12(11(13)14)7-2-8-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChI Key:	GFNPCJCIUWSWIV-UHFFFAOYSA-N
LogP:	2.50130

Publication Number	Title	Priority Date
US-2017015633-A1	Pyrimidone carboxamide compounds as pde2 inhibitors	20131223
US-9815796-B2	Pyrimidone carboxamide compounds as PDE2 inhibitors	20131223
EP-2373168-A1	Inhibitors of hcv ns5a	20081203
WO-2010065681-A1	Inhibitors of hcv ns5a	20081203
US-2016137592-A1	Novel compounds advantageous in the treatment of central nervous system diseases and disorders	20080319

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Related Functional Groups

Carbonyl Compounds

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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:	223
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:	2.6