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147165-12-6 | 3-Pyridazinecarboxylic acid, 6-(butylamino)-
CAS No: 147165-12-6 Catalog No: AG001ENW MDL No:
Product Description
Catalog Number:
AG001ENW
Chemical Name:
3-Pyridazinecarboxylic acid, 6-(butylamino)-
CAS Number:
147165-12-6
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
6-(butylamino)pyridazine-3-carboxylic acid
InChI:
InChI=1S/C9H13N3O2/c1-2-3-6-10-8-5-4-7(9(13)14)11-12-8/h4-5H,2-3,6H2,1H3,(H,10,12)(H,13,14)
InChI Key:
GJKXKPAQOFDVSE-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(nn1)C(=O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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