C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O
CAS: 611-95-0
Name: 4-benzoylbenzoic acid
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

Molecular Processing

Molecular formula
C14H10O3
Molecular weight
226.23
Exact mass
226.063
XLogP
2.62
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
63.28

Supplementary Information

InChIKey: IFQUPKAISSPFTE-UHFFFAOYSA-N
Synonyme
4-Benzoylbenzoic acid611-95-0p-Benzoylbenzoic acidBenzoic acid, 4-benzoyl-Benzoic acid, p-benzoyl-DTXSID60209996NSC-37115GWF8XRR32JRefChem:518428DTXCID10132487210-286-04-CarboxybenzophenoneBenzophenone-4-carboxylic acid4-(phenylcarbonyl)benzoic acidMFCD000025604-Benzoyl-benzoic acid4-benzoyl benzoic acidEINECS 210-286-0NSC 371154-Benzoylbenzoic Acid; 4-Carboxybenzophenone; Benzophenone-4-carboxylic Acid; NSC 37115; p-Benzoylbenzoic Acid; p-Carboxybenzophenone4-(benzoyl)benzoic acidOprea1_315988SCHEMBL819644-Benzoylbenzoic acid, 99%CHEMBL192648SCHEMBL2884665SCHEMBL4909286BDBM22762NSC37115SBB057196
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