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13327-27-0 | 3(2H)-Pyridazinone, 6-methyl-
CAS No: 13327-27-0 Catalog No: AG0014J4 MDL No:MFCD00039720
Product Description
Catalog Number:
AG0014J4
Chemical Name:
3(2H)-Pyridazinone, 6-methyl-
CAS Number:
13327-27-0
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD00039720
IUPAC Name:
3-methyl-1H-pyridazin-6-one
InChI:
InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
InChI Key:
QZWIXLPWMGHDDD-UHFFFAOYSA-N
SMILES:
Cc1ccc(=O)[nH]n1
EC Number:
236-367-0
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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