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N-[(4-methylphenyl)methyl]-3-oxobutanamide

N-[(4-methylphenyl)methyl]-3-oxobutanamide

CAS: 710307-99-6

Formula: C12H15NO2

SMILES: CC(=O)CC(=O)NCC1=CC=C(C)C=C1

IUPAC: N-[(4-methylphenyl)methyl]-3-oxobutanamide

InChI: InChI=1S/C12H15NO2/c1-9-3-5-11(6-4-9)8-13-12(15)7-10(2)14/h3-6H,7-8H2,1-2H3,(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 VEIYXUWSYZVVJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.91
Topological Polar Surface Area 46.17
Polarizability 22.58
Ring Count 1
Rotatable Bond Count 4

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