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524-07-2 | 5-pyridoxic acid
CAS No: 524-07-2 Catalog No: AG00E07Q MDL No:
Product Description
Catalog Number:
AG00E07Q
Chemical Name:
5-pyridoxic acid
CAS Number:
524-07-2
IUPAC Name:
5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)
InChI Key:
VJZTVPVXKYQRJZ-UHFFFAOYSA-N
UNII:
RDF4ZG9Z7H
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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