Home Other Building Blocks 2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid

2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid

CAS No.:
1406928-10-6
Catalog Number:
AG01C5DY
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
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Product Description
Catalog Number:
AG01C5DY
Chemical Name:
2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid
CAS Number:
1406928-10-6
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD17257163
IUPAC Name:
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
InChI:
InChI=1S/C8H11N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-5H2,(H,12,13)
InChI Key:
OHVFGIAVSNPLBA-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc2n(c1=O)CCCC2
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties