4-Benzoylbenzoic Acid

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Catalog Number
ACM611950
Product Name
4-Benzoylbenzoic Acid
Structure
Structure
CAS
611-95-0
Category
Heterocyclic Organic Compound
IUPAC Name
4-benzoylbenzoic acid
Molecular Weight
226.23
Molecular Formula
C14H10O3
Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
InChI Key
IFQUPKAISSPFTE-UHFFFAOYSA-N
Boiling Point
415.7 °C at 760 mmHg
Melting Point
199.0 °C
Complexity
284
Covalently-Bonded Unit Count
1
EC Number
210-286-0
Exact Mass
226.062994g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
17
Monoisotopic Mass
226.062994g/mol
NSC Number
37115
Rotatable Bond Count
3
XLogP3
3
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