4-(4-benzylphenyl)-4-oxobutanoic acid

4-(4-benzylphenyl)-4-oxobutanoic acid

CAS: 63471-85-2

Formula: C17H16O3

SMILES: OC(=O)CCC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1

IUPAC: 4-(4-benzylphenyl)-4-oxobutanoic acid

InChI: InChI=1S/C17H16O3/c18-16(10-11-17(19)20)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)

Composition: C (76.10%), H (6.01%), O (17.89%)

Molar Mass: 268.312

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.109944375
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MGWNKUFPLYQEQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.09
Topological Polar Surface Area	54.37
Polarizability	29.61
Ring Count	2
Rotatable Bond Count	6

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