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99845-76-8 | 2,6-DIAMINO-PYRIDIN-4-OL
CAS No: 99845-76-8 Catalog No: AG003W18 MDL No:
Product Description
Catalog Number:
AG003W18
Chemical Name:
2,6-DIAMINO-PYRIDIN-4-OL
CAS Number:
99845-76-8
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
IUPAC Name:
2,6-diamino-1H-pyridin-4-one
InChI:
InChI=1S/C5H7N3O/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H5,6,7,8,9)
InChI Key:
DAHRVHXMNYUJFB-UHFFFAOYSA-N
SMILES:
Oc1cc(N)nc(c1)N
Properties
Complexity:
184
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:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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