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2-Methylbenzophenone

CAT: 0926-FM71378-02Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0926-FM71378-02Size:1000 g
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CAS Number
131-58-8
MDL Number
MFCD00008518
Smiles
CC1=CC=CC=C1C (=O) C2=CC=CC=C2
Molecular Formula
C14H12O
Molecular Weight
196.24 g/mol
Controlled
No

Chemical Information

2-Methylbenzophenone
CAS Number131-58-8
PubChem CID67230
IUPAC Name(2-methylphenyl)-phenylmethanone
Molecular FormulaC14H12O
Molecular Weight196.24
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity215
SMILES
CC1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKey
CKGKXGQVRVAKEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylbenzophenone
CAS: 131-58-8
CID: 67230
Formula: C14H12O
MW: 196.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.24
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass196.088815002
Monoisotopic Mass196.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity215
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