Name: Name:methyl 4-(4-cyanophenyl)-2,4-dioxobutanoate
Brand: Angene
SKU: AG019WC6
Rating: 90 (10 reviews)

methyl 4-(4-cyanophenyl)-2,4-dioxobutanoate

CAS No.:

1152566-31-8

Catalog Number:

AG019WC6

Molecular Formula:

C12H9NO4

Molecular Weight:

231.2042

Catalog Number:

AG019WC6

Chemical Name:

methyl 4-(4-cyanophenyl)-2,4-dioxobutanoate

CAS Number:

1152566-31-8

Molecular Formula:

C12H9NO4

Molecular Weight:

231.2042

MDL Number:

MFCD10693634

IUPAC Name:

methyl 4-(4-cyanophenyl)-2,4-dioxobutanoate

InChI:

InChI=1S/C12H9NO4/c1-17-12(16)11(15)6-10(14)9-4-2-8(7-13)3-5-9/h2-5H,6H2,1H3

InChI Key:

JZVZUZGNSNDDQQ-UHFFFAOYSA-N

SMILES:

COC(=O)C(=O)CC(=O)c1ccc(cc1)C#N

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.207g/mol

Monoisotopic Mass:

231.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2