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Home > Pyridines > 138548-48-8
138548-48-8 | 4(1H)-Pyridinone, 2,3-dihydro-3,5-dihydroxy-6-methyl-1-propyl-
CAS No: 138548-48-8 Catalog No: AG0019EI MDL No:
Product Description
Catalog Number:
AG0019EI
Chemical Name:
4(1H)-Pyridinone, 2,3-dihydro-3,5-dihydroxy-6-methyl-1-propyl-
CAS Number:
138548-48-8
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
3,5-dihydroxy-6-methyl-1-propyl-2,3-dihydropyridin-4-one
InChI:
InChI=1S/C9H15NO3/c1-3-4-10-5-7(11)9(13)8(12)6(10)2/h7,11-12H,3-5H2,1-2H3
InChI Key:
QCIWWCNYHOWCDN-UHFFFAOYSA-N
SMILES:
CCCN1CC(O)C(=O)C(=C1C)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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