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3- (Methoxycarbonyl) benzophenone

CAT: 1266-JH206862Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
21204-86-4
HS Code
2918300090
Stability
Stable at normal temperatures and pressures. Heat.
Molecular Formula
C15H12O3
Molecular Weight
240.25
Product Name Synonym
3-Benzoyl-benzoesaeure-methylester
Physical Properties
Tan solid
Safety Statements
S16; S36/37/39
Density
1.169g/cm3
Flash Point
171.6oC
Melting Point
232-235 °C (lit.)

Chemical Information

Methyl 3-benzoylbenzoate
CAS Number21204-86-4
PubChem CID349621
IUPAC Namemethyl 3-benzoylbenzoate
Molecular FormulaC15H12O3
Molecular Weight240.25
XLogP3.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity305
SMILES
COC(=O)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O3/c1-18-15(17)13-9-5-8-12(10-13)14(16)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
FOBUHGGUSGQWRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-benzoylbenzoate
CAS: 21204-86-4
CID: 349621
Formula: C15H12O3
MW: 240.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.25
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass240.078644241
Monoisotopic Mass240.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-2101834'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonyl-benzophenone
sc-2104045'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonyl-benzophenone
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