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2',5'-Dimethylacetophenone

CAT: 1596-AR-M04010-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M04010-04Size:100 Units
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CAS Number
2142-73-6
Molecular Formula
C10H12O
Molecular Weight
148.21
API Name
Medetomidine

Chemical Information

Ethanone, 1-(2,5-dimethylphenyl)-
CAS Number2142-73-6
PubChem CID75061
IUPAC Name1-(2,5-dimethylphenyl)ethanone
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP2.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
CC1=CC(=C(C=C1)C)C(=O)C
InChI
InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
InChIKey
AWKBVLVKQQRRFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 1-(2,5-dimethylphenyl)-
CAS: 2142-73-6
CID: 75061
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
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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