Home Carboxys 3-(4-hydroxyphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(4-hydroxyphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS No.:
1517390-24-7
Catalog Number:
AG01BD9T
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
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Product Description
Catalog Number:
AG01BD9T
Chemical Name:
3-(4-hydroxyphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number:
1517390-24-7
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD25129197
IUPAC Name:
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C13H13N3O3/c17-10-4-1-8(2-5-10)12-15-14-11-6-3-9(13(18)19)7-16(11)12/h1-2,4-5,9,17H,3,6-7H2,(H,18,19)
InChI Key:
VUUVKVBTCMENDS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2n(C1)c(nn2)c1ccc(cc1)O
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties