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5436-01-1 | 3-HYDROXY-1-METHYLPYRIDAZIN-6(1H)-ONE
CAS No: 5436-01-1 Catalog No: AG003JJ5 MDL No:MFCD00176268
Product Description
Catalog Number:
AG003JJ5
Chemical Name:
3-HYDROXY-1-METHYLPYRIDAZIN-6(1H)-ONE
CAS Number:
5436-01-1
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00176268
IUPAC Name:
2-methyl-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C5H6N2O2/c1-7-5(9)3-2-4(8)6-7/h2-3H,1H3,(H,6,8)
InChI Key:
UAECOHJYXUJDOF-UHFFFAOYSA-N
SMILES:
Cn1nc(O)ccc1=O
EC Number:
924-419-1
NSC Number:
21412
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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