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137528-47-3 | 1(4H)-Pyridinebutanoic acid, 3-hydroxy-2-methyl-4-oxo-
CAS No: 137528-47-3 Catalog No: AG0013HS MDL No:
Product Description
Catalog Number:
AG0013HS
Chemical Name:
1(4H)-Pyridinebutanoic acid, 3-hydroxy-2-methyl-4-oxo-
CAS Number:
137528-47-3
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
4-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)butanoic acid
InChI:
InChI=1S/C10H13NO4/c1-7-10(15)8(12)4-6-11(7)5-2-3-9(13)14/h4,6,15H,2-3,5H2,1H3,(H,13,14)
InChI Key:
KVNJCEWZEMPXTL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1ccc(=O)c(c1C)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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