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1183245-80-8 | 3-Pyridazinecarboxylic acid, 6-(ethylamino)-
CAS No: 1183245-80-8 Catalog No: AG000IOJ MDL No:MFCD12152631
Product Description
Catalog Number:
AG000IOJ
Chemical Name:
3-Pyridazinecarboxylic acid, 6-(ethylamino)-
CAS Number:
1183245-80-8
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD12152631
IUPAC Name:
6-(ethylamino)pyridazine-3-carboxylic acid
InChI:
InChI=1S/C7H9N3O2/c1-2-8-6-4-3-5(7(11)12)9-10-6/h3-4H,2H2,1H3,(H,8,10)(H,11,12)
InChI Key:
JCMSODKWJRJTFR-UHFFFAOYSA-N
SMILES:
CCNc1ccc(nn1)C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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