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5754-17-6 | 4,5-Dimethylpyridazine-3,6-diol
CAS No: 5754-17-6 Catalog No: AG003IQG MDL No:MFCD00067744
Product Description
Catalog Number:
AG003IQG
Chemical Name:
4,5-Dimethylpyridazine-3,6-diol
CAS Number:
5754-17-6
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00067744
IUPAC Name:
4,5-dimethyl-1,2-dihydropyridazine-3,6-dione
InChI:
InChI=1S/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10)
InChI Key:
QLFHLLQTPRTMLL-UHFFFAOYSA-N
SMILES:
Cc1c(O)nnc(c1C)O
NSC Number:
50756
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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