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Home Carboxys [1,2,4]Triazolo[4,3-a]pyridine-8-carboxylic acid dihydrate

[1,2,4]Triazolo[4,3-a]pyridine-8-carboxylic acid dihydrate

CAS No.:
1609404-05-8
Catalog Number:
AG00J2P4
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG00J2P4
Chemical Name:
[1,2,4]Triazolo[4,3-a]pyridine-8-carboxylic acid dihydrate
CAS Number:
1609404-05-8
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD18431869
IUPAC Name:
[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;dihydrate
InChI:
InChI=1S/C7H5N3O2.2H2O/c11-7(12)5-2-1-3-10-4-8-9-6(5)10;;/h1-4H,(H,11,12);2*1H2
InChI Key:
PHBJWVWRQXTFLC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn2c1nnc2.O.O
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties