Home Carboxys 5-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

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

CAS No.:
87668-16-4
Catalog Number:
AG01E2CV
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
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Product Description
Catalog Number:
AG01E2CV
Chemical Name:
5-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CAS Number:
87668-16-4
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD18427107
IUPAC Name:
5-methylidene-6-oxopyridazine-3-carboxylic acid
InChI:
InChI=1S/C6H4N2O3/c1-3-2-4(6(10)11)7-8-5(3)9/h2H,1H2,(H,10,11)
InChI Key:
WIANKKRNAWQZTF-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(=O)c(c1)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.109g/mol
Monoisotopic Mass:
152.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties