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116708-30-6 | 2-Pyridinecarboxylic acid, 3-(3,3-dimethyl-1-triazen-1-yl)-
CAS No: 116708-30-6 Catalog No: AG000D4W MDL No:
Product Description
Catalog Number:
AG000D4W
Chemical Name:
2-Pyridinecarboxylic acid, 3-(3,3-dimethyl-1-triazen-1-yl)-
CAS Number:
116708-30-6
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
IUPAC Name:
3-(dimethylaminodiazenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H10N4O2/c1-12(2)11-10-6-4-3-5-9-7(6)8(13)14/h3-5H,1-2H3,(H,13,14)
InChI Key:
ABJSYTQJFSOBIO-UHFFFAOYSA-N
SMILES:
CN(N=Nc1cccnc1C(=O)O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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