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2,6-Dimethylacetanilide

CAT: 0127-OR111521Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR111521Size:5 g
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CAS Number
19343-15-8
MDL Number
MFCD00791246
Purity
=95%
Smiles
CCC(=O)Nc1ccccc1C

Chemical Information

N-(2-Methylphenyl)propanamide
CAS Number19343-15-8
PubChem CID306637
IUPAC NameN-(2-methylphenyl)propanamide
Molecular FormulaC10H13NO
Molecular Weight163.22
XLogP1.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
CCC(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C10H13NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
OOZZQDJPLCJMML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Methylphenyl)propanamide
CAS: 19343-15-8
CID: 306637
Formula: C10H13NO
MW: 163.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.22
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass163.099714038
Monoisotopic Mass163.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
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