Name: Name:4-(4-chlorophenyl)-2,2-dimethyl-4-oxobutanoic acid
Brand: Angene
SKU: AG01A5S0
Rating: 90 (10 reviews)

4-(4-chlorophenyl)-2,2-dimethyl-4-oxobutanoic acid

CAS No.:

58457-63-9

Catalog Number:

AG01A5S0

Molecular Formula:

C12H13ClO3

Molecular Weight:

240.6828

Catalog Number:

AG01A5S0

Chemical Name:

4-(4-chlorophenyl)-2,2-dimethyl-4-oxobutanoic acid

CAS Number:

58457-63-9

Molecular Formula:

C12H13ClO3

Molecular Weight:

240.6828

MDL Number:

MFCD19355344

IUPAC Name:

4-(4-chlorophenyl)-2,2-dimethyl-4-oxobutanoic acid

InChI:

InChI=1S/C12H13ClO3/c1-12(2,11(15)16)7-10(14)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,15,16)

InChI Key:

RREJHOGJJSEUIQ-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)Cl)CC(C(=O)O)(C)C

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.683g/mol

Monoisotopic Mass:

240.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6