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890095-26-8 | 2-(4H-1,2,4-TRIAZOL-4-YL)ISONICOTINIC ACID
CAS No: 890095-26-8 Catalog No: AG0044P8 MDL No:MFCD08142651
Product Description
Catalog Number:
AG0044P8
Chemical Name:
2-(4H-1,2,4-TRIAZOL-4-YL)ISONICOTINIC ACID
CAS Number:
890095-26-8
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD08142651
IUPAC Name:
2-(1,2,4-triazol-4-yl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H6N4O2/c13-8(14)6-1-2-9-7(3-6)12-4-10-11-5-12/h1-5H,(H,13,14)
InChI Key:
SXTXKDSUUOPOJA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)n1cnnc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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