Home Pyridines 100114-19-0
100114-19-0,MFCD20502909
Catalog No.:AA0000WF
100114-19-0 | 3(2H)-Pyridazinone, 5,6-diMethyl-
Pack Size
Purity
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Price(USD)
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1g
95%
in stock  
$166.00
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5g
95%
in stock  
$522.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000WF
Chemical Name:
3(2H)-Pyridazinone, 5,6-diMethyl-
CAS Number:
100114-19-0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD20502909
IUPAC Name:
3,4-dimethyl-1H-pyridazin-6-one
InChI:
InChI=1S/C6H8N2O/c1-4-3-6(9)8-7-5(4)2/h3H,1-2H3,(H,8,9)
InChI Key:
AWPAHXPYSVABCQ-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]nc1C
Properties
Computed Properties
 
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Synonyms
 
5,6-dimethylpyridazin-3(2H)-one 
100114-19-0 
3(2H)-Pyridazinone, 5,6-dimethyl- 
AKOS012077920 
AKOS024015385 
MCULE-5958698617 
NE31198 
AS-51119 
CS-0050726 
EN300-71708 
Y-8337 
F1967-2571 
5,6-dimethylpyridazin-3-ol 
F8888-4505 
Z1258992450 
5,6-dimethyl-2,3-dihydropyridazin-3-one 
5,6-dimethyl-3(2H)-pyridazinone 
AC1Q2HDC 
SCHEMBL8404400 
5,6-dimethyl-2H-pyridazin-3-one 
MFCD16871377 
ZINC54930865 
Literature
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