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Home > Pyridines > 138659-51-5
138659-51-5 | 3,4-Pyridinediol, 2-[(phosphonooxy)methyl]-
CAS No: 138659-51-5 Catalog No: AG0018Z4 MDL No:
Product Description
Catalog Number:
AG0018Z4
Chemical Name:
3,4-Pyridinediol, 2-[(phosphonooxy)methyl]-
CAS Number:
138659-51-5
Molecular Formula:
C6H8NO6P
Molecular Weight:
221.1046
IUPAC Name:
(3-hydroxy-4-oxo-1H-pyridin-2-yl)methyl dihydrogen phosphate
InChI:
InChI=1S/C6H8NO6P/c8-5-1-2-7-4(6(5)9)3-13-14(10,11)12/h1-2,9H,3H2,(H,7,8)(H2,10,11,12)
InChI Key:
HEXISKMNITVSOI-UHFFFAOYSA-N
SMILES:
Oc1ccnc(c1O)COP(=O)(O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
221.105g/mol
Monoisotopic Mass:
221.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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