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1394918-99-0 | 3-Pyridinol, 5,6-diamino-
CAS No: 1394918-99-0 Catalog No: AG001B4G MDL No:
Product Description
Catalog Number:
AG001B4G
Chemical Name:
3-Pyridinol, 5,6-diamino-
CAS Number:
1394918-99-0
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
IUPAC Name:
5,6-diaminopyridin-3-ol
InChI:
InChI=1S/C5H7N3O/c6-4-1-3(9)2-8-5(4)7/h1-2,9H,6H2,(H2,7,8)
InChI Key:
KFBGHPAUAGPIOF-UHFFFAOYSA-N
SMILES:
Oc1cnc(c(c1)N)N
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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