Home Carboxys 1-(2-methylpropyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

1-(2-methylpropyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

CAS No.:
923249-37-0
Catalog Number:
AG01AGRG
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
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Product Description
Catalog Number:
AG01AGRG
Chemical Name:
1-(2-methylpropyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CAS Number:
923249-37-0
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
MDL Number:
MFCD08444767
IUPAC Name:
1-(2-methylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
InChI:
InChI=1S/C9H14N2O3/c1-6(2)5-11-8(12)4-3-7(10-11)9(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChI Key:
FHSXRWUPFJOQNQ-UHFFFAOYSA-N
SMILES:
CC(CN1N=C(CCC1=O)C(=O)O)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties