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116776-52-4 | Benzenebutanoic acid, 4-chloro-γ-oxo-α-phenyl-
CAS No: 116776-52-4 Catalog No: AG000D78 MDL No:
Product Description
Catalog Number:
AG000D78
Chemical Name:
Benzenebutanoic acid, 4-chloro-γ-oxo-α-phenyl-
CAS Number:
116776-52-4
Molecular Formula:
C16H13ClO3
Molecular Weight:
288.7256
IUPAC Name:
4-(4-chlorophenyl)-4-oxo-2-phenylbutanoic acid
InChI:
InChI=1S/C16H13ClO3/c17-13-8-6-12(7-9-13)15(18)10-14(16(19)20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,20)
InChI Key:
IWLGJWQSXFLVSY-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.727g/mol
Monoisotopic Mass:
288.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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