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88976-65-2 | 3,6-Pyridazinedione, 1-amino-1,2-dihydro-
CAS No: 88976-65-2 Catalog No: AG0045QM MDL No:
Product Description
Catalog Number:
AG0045QM
Chemical Name:
3,6-Pyridazinedione, 1-amino-1,2-dihydro-
CAS Number:
88976-65-2
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
IUPAC Name:
2-amino-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C4H5N3O2/c5-7-4(9)2-1-3(8)6-7/h1-2H,5H2,(H,6,8)
InChI Key:
JUAVOYFTZNXJKC-UHFFFAOYSA-N
SMILES:
O=c1ccc(=O)n([nH]1)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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