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1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic Acid

1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic Acid - CAS 1385694-61-0

Name: 1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008796
Product Name:	1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic Acid
CAS:	1385694-61-0
Synonyms:	1-(2-chlorophenyl)-4-oxo-1-cyclohexanecarboxylic acid; 1-(2-chlorophenyl)-4-oxocyclohexane-1-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-chlorophenyl)-4-oxocyclohexane-1-carboxylic acid
Description:	1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic Acid (CAS# 1385694-61-0 ) is a useful research chemical.
Molecular Weight:	252.69
Molecular Formula:	C13H13ClO3
Canonical SMILES:	C1CC(CCC1=O)(C2=CC=CC=C2Cl)C(=O)O
InChI:	InChI=1S/C13H13ClO3/c14-11-4-2-1-3-10(11)13(12(16)17)7-5-9(15)6-8-13/h1-4H,5-8H2,(H,16,17)
InChI Key:	ZBDTUKWTMANXAU-UHFFFAOYSA-N
LogP:	2.80550

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

Publication Number	Title	Priority Date
CA-1093553-A	Novel 4-amino-4-arylcyclohexanones and their ketals	19760603
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

Complexity:	317
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.055322
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.055322
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2