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55271-47-1 | pyridazine-4,5-diol
CAS No: 55271-47-1 Catalog No: AG00DHVE MDL No:
Product Description
Catalog Number:
AG00DHVE
Chemical Name:
pyridazine-4,5-diol
CAS Number:
55271-47-1
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
IUPAC Name:
5-hydroxy-1H-pyridazin-4-one
InChI:
InChI=1S/C4H4N2O2/c7-3-1-5-6-2-4(3)8/h1-2H,(H,5,8)(H,6,7)
InChI Key:
PLYGYRGRWMDMDZ-UHFFFAOYSA-N
SMILES:
Oc1cnncc1O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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