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100047-66-3 | 3-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-
CAS No: 100047-66-3 Catalog No: AG0000OI MDL No:MFCD03982044
Product Description
Catalog Number:
AG0000OI
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
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
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