Home Carboxys 6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

CAS No.:
17417-56-0
Catalog Number:
AG01A54E
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
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Product Description
Catalog Number:
AG01A54E
Chemical Name:
6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid
CAS Number:
17417-56-0
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD20647474
IUPAC Name:
6-methyl-4-oxo-1H-pyridazine-3-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-3-2-4(9)5(6(10)11)8-7-3/h2H,1H3,(H,7,9)(H,10,11)
InChI Key:
RGNVUHJJYMULLH-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)c(n[nH]1)C(=O)O
Properties
Complexity:
278  
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:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties