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188709-24-2 | Butanamide, N-[1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl]-3-oxo-
CAS No: 188709-24-2 Catalog No: AG002H6E MDL No:MFCD00830745
Product Description
Catalog Number:
AG002H6E
Chemical Name:
Butanamide, N-[1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl]-3-oxo-
CAS Number:
188709-24-2
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
MDL Number:
MFCD00830745
IUPAC Name:
3-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]butanamide
InChI:
InChI=1S/C16H21NO2/c1-11(2)13-7-6-8-14(10-13)16(4,5)17-15(19)9-12(3)18/h6-8,10H,1,9H2,2-5H3,(H,17,19)
InChI Key:
IQIPLBFKOZXPRE-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)NC(c1cccc(c1)C(=C)C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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