Home Carboxys 5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

CAS No.:
1384427-72-8
Catalog Number:
AG019ZI7
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG019ZI7
Chemical Name:
5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CAS Number:
1384427-72-8
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD22369962
IUPAC Name:
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O3/c1-3-5-6(4-2)10-11-8(12)7(5)9(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14)
InChI Key:
WGJNOUNQHWSSIS-UHFFFAOYSA-N
SMILES:
CCc1c(CC)n[nH]c(=O)c1C(=O)O
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties