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Home > Pyridines > 126055-13-8
126055-13-8 | 4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-hydroxyethyl)-
CAS No: 126055-13-8 Catalog No: AG000QV2 MDL No:
Product Description
Catalog Number:
AG000QV2
Chemical Name:
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-hydroxyethyl)-
CAS Number:
126055-13-8
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
2-ethyl-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
InChI:
InChI=1S/C9H13NO3/c1-2-7-9(13)8(12)3-4-10(7)5-6-11/h3-4,11,13H,2,5-6H2,1H3
InChI Key:
QEUNHAYEJPIRIA-UHFFFAOYSA-N
SMILES:
OCCn1ccc(=O)c(c1CC)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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