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88302-09-4 | 2(1H)-Pyridinone, 6-ethyl-5-(1-oxopropyl)-
CAS No: 88302-09-4 Catalog No: AG0049H5 MDL No:
Product Description
Catalog Number:
AG0049H5
Chemical Name:
2(1H)-Pyridinone, 6-ethyl-5-(1-oxopropyl)-
CAS Number:
88302-09-4
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
6-ethyl-5-propanoyl-1H-pyridin-2-one
InChI:
InChI=1S/C10H13NO2/c1-3-8-7(9(12)4-2)5-6-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,11,13)
InChI Key:
JMDUPPQVQZVCFS-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(=O)[nH]c1CC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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