Name: Name:1-(3-Chlorophenyl)-4-oxocyclohexanecarboxylic acid
Brand: Angene
SKU: AG003CWR
Rating: 90 (10 reviews)

1-(3-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

CAS No.:

887978-71-4

Catalog Number:

AG003CWR

Molecular Formula:

C13H13ClO3

Molecular Weight:

252.6935

Catalog Number:

AG003CWR

Chemical Name:

1-(3-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

CAS Number:

887978-71-4

Molecular Formula:

C13H13ClO3

Molecular Weight:

252.6935

MDL Number:

MFCD06410577

IUPAC Name:

1-(3-chlorophenyl)-4-oxocyclohexane-1-carboxylic acid

InChI:

InChI=1S/C13H13ClO3/c14-10-3-1-2-9(8-10)13(12(16)17)6-4-11(15)5-7-13/h1-3,8H,4-7H2,(H,16,17)

InChI Key:

RTHQIXYCYJHTTI-UHFFFAOYSA-N

SMILES:

O=C1CCC(CC1)(C(=O)O)c1cccc(c1)Cl

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.694g/mol

Monoisotopic Mass:

252.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: