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100047-66-3,MFCD03982044
Catalog No.:AA0000LQ
3-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo- | 100047-66-3
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1g
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Technical Information
Catalog Number:
AA0000LQ
Chemical Name:
3-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-
CAS Number:
100047-66-3
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD03982044
IUPAC Name:
1-methyl-6-oxopyridazine-3-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
VSWNRKPYWTWWBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(=O)n(n1)C
Properties
Computed Properties
 
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

Synonyms
 
100047-66-3 
1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid 
KS-000003LT 
ZINC3249589 
7070AC 
BBL012020 
MFCD03982044 
SBB027409 
STK729387 
AKOS000261884 
MCULE-8163896879 
PB12782 
1-Methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid 
RTR-045751 
AJ-44805 
BS-13374 
SC-53823 
AB1008765 
DB-028575 
TR-045751 
CS-0052433 
FT-0747777 
ST24038129 
1-methyl-6-oxopyridazine-3-carboxylic acid 
ST50289373 
EN300-05798 
Q-1430 
047M663 
3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6- 
J-504981 
Z56911968 
F2124-0543 
3-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo- 
3-pyridazinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo- 
1-methyl-6-oxohydropyridazine-3-carboxylic acid 
1-METHYL-6-OXO-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLIC ACID 
1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid, AldrichCPR 
null 
C6H6N2O3 
CID2366695 
3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI) 
BAS 10142635 
AC1M65GR 
SCHEMBL286957 
AC1Q40C4 
VSWNRKPYWTWWBV-UHFFFAOYSA-N 
Literature
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