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84794-25-2 | Pentanamide, N-acetyl-4-methyl-3-oxo-
CAS No: 84794-25-2 Catalog No: AG004XFS MDL No:
Product Description
Catalog Number:
AG004XFS
Chemical Name:
Pentanamide, N-acetyl-4-methyl-3-oxo-
CAS Number:
84794-25-2
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
N-acetyl-4-methyl-3-oxopentanamide
InChI:
InChI=1S/C8H13NO3/c1-5(2)7(11)4-8(12)9-6(3)10/h5H,4H2,1-3H3,(H,9,10,12)
InChI Key:
YXXBSVRACOGNTG-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C(C)C)NC(=O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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