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25015-73-0 | 4-Pyridazinol, 3-amino-
CAS No: 25015-73-0 Catalog No: AG002Q6G MDL No:
Product Description
Catalog Number:
AG002Q6G
Chemical Name:
4-Pyridazinol, 3-amino-
CAS Number:
25015-73-0
Molecular Formula:
C4H5N3O
Molecular Weight:
111.1020
IUPAC Name:
3-amino-1H-pyridazin-4-one
InChI:
InChI=1S/C4H5N3O/c5-4-3(8)1-2-6-7-4/h1-2H,(H2,5,7)(H,6,8)
InChI Key:
VTDOOVLHUVVIFL-UHFFFAOYSA-N
SMILES:
Oc1ccnnc1N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
111.104g/mol
Monoisotopic Mass:
111.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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