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2-Benzoylbenzoic Acid

Catalog Number
ACM85529
Product Name
2-Benzoylbenzoic Acid
Structure
CAS
85-52-9
Category
Polymerization Initiators
IUPAC Name
2-benzoylbenzoic acid
Molecular Weight
226.23g/mol
Molecular Formula
C14H10O3
Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChI Key
FGTYTUFKXYPTML-UHFFFAOYSA-N
Boiling Point
261.0 °C
Melting Point
127.0 °C;127-129 °C
Solubility
VERY SOL IN ALCOHOL & ETHER; SOL IN HOT BENZENE;SOL IN HOT WATER
Color/Form
TRICLINIC NEEDLES (WATER + 1)
Complexity
292
Covalently-Bonded Unit Count
1
EC Number
201-612-2
Exact Mass
226.062994g/mol
Formal Charge
0
Heavy Atom Count
17
MeSH Entry Terms
2-benzoylbenzoic acid
Monoisotopic Mass
226.062994g/mol
NSC Number
6646
Other Experimental
MP: 93.4 °C (+ WATER);UV: 1726 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /Benzoic acid, 3-benzoyl/
Rotatable Bond Count
3
UNII
1N20Y812XW
XLogP3
2.3
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