4-(4-carboxybenzoyl)benzoic acid

4-(4-carboxybenzoyl)benzoic acid

CAS: 964-68-1

Formula: C15H10O5

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

IUPAC: 4-(4-carboxybenzoyl)benzoic acid

InChI: InChI=1S/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)

Composition: C (66.67%), H (3.73%), O (29.60%)

Molar Mass: 270.24

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	270.052823422
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LFEWXDOYPCWFHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.15
Topological Polar Surface Area	91.67
Polarizability	26.67
Ring Count	2
Rotatable Bond Count	4

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