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1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarboxylic Acid

1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarboxylic Acid - CAS 773101-05-6

Catalog:	BB035880
Product Name:	1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarboxylic Acid
CAS:	773101-05-6
Synonyms:	1-(3,4-dichlorophenyl)-4-oxo-1-cyclohexanecarboxylic acid; 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carboxylic acid
Description:	1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarboxylic Acid (CAS# 773101-05-6 ) is a useful research chemical.
Molecular Weight:	287.14
Molecular Formula:	C13H12Cl2O3
Canonical SMILES:	C1CC(CCC1=O)(C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI:	InChI=1S/C13H12Cl2O3/c14-10-2-1-8(7-11(10)15)13(12(17)18)5-3-9(16)4-6-13/h1-2,7H,3-6H2,(H,17,18)
InChI Key:	DBDIMKGSZUQUSV-UHFFFAOYSA-N
LogP:	3.45890

Publication Number	Title	Priority Date
CH-641177-A5	Method for producing new 4-amino-4-arylcyclohexanone compounds.	19760603
GB-1561206-A	4-isocyanato 4- arylcyclohexanone ketals	19760603
US-4065573-A	4-Amino-4-phenylcyclohexanone ketal compositions and process of use	19760603
US-4180584-A	4-Pyrrolidino-cyclohexanone ketals	19760603
US-4460604-A	4-Amino-4-aryl-cyclohexanones	19760603

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Complexity:	346
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.0163496
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	286.0163496
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7