Home Carboxys 5H,6H,7H,8H-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxylic acid

5H,6H,7H,8H-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxylic acid

CAS No.:
1517011-06-1
Catalog Number:
AG01B2HX
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
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Product Description
Catalog Number:
AG01B2HX
Chemical Name:
5H,6H,7H,8H-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxylic acid
CAS Number:
1517011-06-1
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
MDL Number:
MFCD30647497
IUPAC Name:
5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C6H8N4O2/c11-6(12)4-1-2-5-7-8-9-10(5)3-4/h4H,1-3H2,(H,11,12)
InChI Key:
FIBVNNRIJWGZOZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2n(C1)nnn2
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.156g/mol
Monoisotopic Mass:
168.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties