Name: Name:Benzenebutanoic acid, α-(1-methylethyl)-β-oxo-, ethyl ester
Brand: Angene
SKU: AG0024Q5
Rating: 90 (10 reviews)

Benzenebutanoic acid, α-(1-methylethyl)-β-oxo-, ethyl ester

CAS No.:

176519-53-2

Catalog Number:

AG0024Q5

Molecular Formula:

C15H20O3

Molecular Weight:

248.3175

Catalog Number:

AG0024Q5

Chemical Name:

Benzenebutanoic acid, α-(1-methylethyl)-β-oxo-, ethyl ester

CAS Number:

176519-53-2

Molecular Formula:

C15H20O3

Molecular Weight:

248.3175

MDL Number:

MFCD03425831

IUPAC Name:

ethyl 3-oxo-4-phenyl-2-propan-2-ylbutanoate

InChI:

InChI=1S/C15H20O3/c1-4-18-15(17)14(11(2)3)13(16)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3

InChI Key:

GLMIDTBEENEUNW-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(C(=O)Cc1ccccc1)C(C)C

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.322g/mol

Monoisotopic Mass:

248.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3