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(2,5-dimethylphenyl) (phenyl) methanone

CAT: 0024-sc-288460Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-288460Size:100 mg
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CAS Number
4044-60-4

Chemical Information

2,5-Dimethylbenzophenone
CAS Number4044-60-4
PubChem CID77665
IUPAC Name(3,5-dimethylphenyl)-phenylmethanone
Molecular FormulaC15H14O
Molecular Weight210.27
XLogP4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity230
SMILES
CC1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C15H14O/c1-11-8-12(2)10-14(9-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
OLXZWWMXQRMOGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethylbenzophenone
CAS: 4044-60-4
CID: 77665
Formula: C15H14O
MW: 210.27
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight210.27
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass210.104465066
Monoisotopic Mass210.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity230
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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