4-Oxo-1-phenylcyclohexanecarboxylic Acid - CAS 75945-91-4

Catalog:	BB035446
Product Name:	4-Oxo-1-phenylcyclohexanecarboxylic Acid
CAS:	75945-91-4
Synonyms:	4-oxo-1-phenyl-1-cyclohexanecarboxylic acid; 4-oxo-1-phenylcyclohexane-1-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4-oxo-1-phenylcyclohexane-1-carboxylic acid
Description:	4-Oxo-1-phenylcyclohexanecarboxylic Acid (CAS# 75945-91-4) is a useful research chemical.
Molecular Weight:	218.25
Molecular Formula:	C13H14O3
Canonical SMILES:	C1CC(CCC1=O)(C2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C13H14O3/c14-11-6-8-13(9-7-11,12(15)16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChI Key:	GLXVJOPRMXBHSI-UHFFFAOYSA-N
Boiling Point:	408.7 °C at 760 mmHg
Density:	1.227 g/cm³
Appearance:	Solid
LogP:	2.15210

Publication Number	Title	Priority Date
JP-2018076234-A	Pyrazolo [1,5-a] pyrimidine compounds	20150316
WO-2016148145-A1	PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND	20150316
AU-2010236336-A1	4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2	20090417
AU-2010236336-B2	4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2	20090417
CA-2758929-A1	4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of ccr2	20090417

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.094294304
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.094294304
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4