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3-benzoylbenzoic acid

3-benzoylbenzoic acid

CAS: 579-18-0

Formula: C14H10O3

SMILES: OC(=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1

IUPAC: 3-benzoylbenzoic acid

InChI: InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)

Composition: C (74.33%), H (4.46%), O (21.22%)

Molar Mass: 226.231

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 226.062994182
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AXJXRLHTQQONQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.89
Topological Polar Surface Area 54.37
Polarizability 24.3
Ring Count 2
Rotatable Bond Count 3

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