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5754-18-7 | 4-Methylpyridazine-3,6-diol
CAS No: 5754-18-7 Catalog No: AG003IQH MDL No:MFCD00067746
Product Description
Catalog Number:
AG003IQH
Chemical Name:
4-Methylpyridazine-3,6-diol
CAS Number:
5754-18-7
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00067746
IUPAC Name:
4-methyl-1,2-dihydropyridazine-3,6-dione
InChI:
InChI=1S/C5H6N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3,(H,6,8)(H,7,9)
InChI Key:
QAVYOWFNXMHVEL-UHFFFAOYSA-N
SMILES:
Oc1nnc(c(c1)C)O
EC Number:
227-276-7
Properties
Complexity:
195
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:
2
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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