Name: Name:Benzenebutanoic acid, 4-methoxy-α,α-dimethyl-γ-oxo-
Brand: Angene
SKU: AG001N5K
Rating: 90 (10 reviews)

Benzenebutanoic acid, 4-methoxy-α,α-dimethyl-γ-oxo-

CAS No.:

15118-48-6

Catalog Number:

AG001N5K

Molecular Formula:

C13H16O4

Molecular Weight:

236.2637

Catalog Number:

AG001N5K

Chemical Name:

Benzenebutanoic acid, 4-methoxy-α,α-dimethyl-γ-oxo-

CAS Number:

15118-48-6

Molecular Formula:

C13H16O4

Molecular Weight:

236.2637

MDL Number:

MFCD01320131

IUPAC Name:

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

InChI:

InChI=1S/C13H16O4/c1-13(2,12(15)16)8-11(14)9-4-6-10(17-3)7-5-9/h4-7H,8H2,1-3H3,(H,15,16)

InChI Key:

MWWLDHHCRLWJJE-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(=O)CC(C(=O)O)(C)C

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.267g/mol

Monoisotopic Mass:

236.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9