Methyl-2-benzoylbenzoate
Product Information
Molecular Formula
C15H12O3
Molecular Weight
240.25
Description
Methyl-2-benzoylbenzoate (CAS# 606-28-0) is a useful research chemical.
Synonyms
methyl 2-benzoylbenzoate
IUPAC Name
methyl 2-benzoylbenzoate
SMILES
COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key
NQSMEZJWJJVYOI-UHFFFAOYSA-N
Boiling Point
352 °C
Melting Point
52 °C
Purity
98 %
Density
1.69 g/cm3
Appearance
White to orange to green powder to crystal
LogP
2.70420
Safety Information
Hazards
H412:
Harmful to aquatic life with long-lasting effects.
Harmful to aquatic life with long-lasting effects.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
240.078644241 g/mol
Monoisotopic Mass
240.078644241 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
305
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
