2-(3,4-dimethylbenzoyl)benzoic acid

2-(3,4-dimethylbenzoyl)benzoic acid

CAS: 2159-42-4

Formula: C16H14O3

SMILES: CC1=CC=C(C=C1C)C(=O)C1=CC=CC=C1C(O)=O

IUPAC: 2-(3,4-dimethylbenzoyl)benzoic acid

InChI: InChI=1S/C16H14O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h3-9H,1-2H3,(H,18,19)

Composition: C (75.58%), H (5.55%), O (18.88%)

Molar Mass: 254.285

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.094294311
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AYVFSZDAFPVJOA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.97
Topological Polar Surface Area	54.37
Polarizability	27.83
Ring Count	2
Rotatable Bond Count	3

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