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1216218-95-9 | 1,2,4-Triazolo[4,3-a]pyridine-8-carboxylic acid
CAS No: 1216218-95-9 Catalog No: AG0015EY MDL No:MFCD07377043
Product Description
Catalog Number:
AG0015EY
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine-8-carboxylic acid
CAS Number:
1216218-95-9
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD07377043
IUPAC Name:
[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
InChI:
InChI=1S/C7H5N3O2/c11-7(12)5-2-1-3-10-4-8-9-6(5)10/h1-4H,(H,11,12)
InChI Key:
QPQQKUFWIVLPGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn2c1nnc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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