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54709-94-3 | 5-Methylpyridazin-3(2H);-one
CAS No: 54709-94-3 Catalog No: AG003MVG MDL No:MFCD09743644
Product Description
Catalog Number:
AG003MVG
Chemical Name:
5-Methylpyridazin-3(2H);-one
CAS Number:
54709-94-3
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD09743644
IUPAC Name:
4-methyl-1H-pyridazin-6-one
InChI:
InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
InChI Key:
MMDFKVYPOQFQHP-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]nc1
NSC Number:
300284
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:
-0.3
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