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144119-64-2 | 2-Pyridinecarboxylic acid, 5-(2,3-dihydroxybutyl)-
CAS No: 144119-64-2 Catalog No: AG001IYA MDL No:
Product Description
Catalog Number:
AG001IYA
Chemical Name:
2-Pyridinecarboxylic acid, 5-(2,3-dihydroxybutyl)-
CAS Number:
144119-64-2
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
5-(2,3-dihydroxybutyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO4/c1-6(12)9(13)4-7-2-3-8(10(14)15)11-5-7/h2-3,5-6,9,12-13H,4H2,1H3,(H,14,15)
InChI Key:
XSSDBGDXCQASNE-UHFFFAOYSA-N
SMILES:
CC(C(Cc1ccc(nc1)C(=O)O)O)O
Properties
Complexity:
222
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:
3
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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