Name: Name:6-(4-chlorophenyl)-4,6-dioxohexanoic acid
Brand: Angene
SKU: AG0093SM
Rating: 90 (10 reviews)

6-(4-chlorophenyl)-4,6-dioxohexanoic acid

CAS No.:

111881-78-8

Catalog Number:

AG0093SM

Molecular Formula:

C12H11ClO4

Molecular Weight:

254.6663

Catalog Number:

AG0093SM

Chemical Name:

6-(4-chlorophenyl)-4,6-dioxohexanoic acid

CAS Number:

111881-78-8

Molecular Formula:

C12H11ClO4

Molecular Weight:

254.6663

MDL Number:

MFCD19329438

IUPAC Name:

6-(4-chlorophenyl)-4,6-dioxohexanoic acid

InChI:

InChI=1S/C12H11ClO4/c13-9-3-1-8(2-4-9)11(15)7-10(14)5-6-12(16)17/h1-4H,5-7H2,(H,16,17)

InChI Key:

PXNQAEKERWTPQO-UHFFFAOYSA-N

SMILES:

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

EC Number:

601-133-2

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.666g/mol

Monoisotopic Mass:

254.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9