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N-(2,4-dimethylphenyl)-3-oxobutanamide

N-(2,4-dimethylphenyl)-3-oxobutanamide

CAS: 97-36-9

Formula: C12H15NO2

SMILES: CC(=O)CC(=O)NC1=CC=C(C)C=C1C

IUPAC: N-(2,4-dimethylphenyl)-3-oxobutanamide

InChI: InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)

Composition: C (70.22%), H (7.37%), N (6.82%), O (15.59%)

Molar Mass: 205.257

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.110278727
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HGVIAKXYAZRSEG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.9
Topological Polar Surface Area 46.17
Polarizability 22.49
Ring Count 1
Rotatable Bond Count 3

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