Home Carboxys 5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid hydrate

5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid hydrate

CAS No.:
1185301-74-9
Catalog Number:
AG00J0TT
Molecular Formula:
C3H5N3O4
Molecular Weight:
147.0895
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG00J0TT
Chemical Name:
5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid hydrate
CAS Number:
1185301-74-9
Molecular Formula:
C3H5N3O4
Molecular Weight:
147.0895
MDL Number:
MFCD00526072
IUPAC Name:
5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxylic acid;hydrate
InChI:
InChI=1S/C3H3N3O3.H2O/c7-2(8)1-4-3(9)6-5-1;/h(H,7,8)(H2,4,5,6,9);1H2
InChI Key:
QFUXPAMLNKWLPP-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(=O)[nH]1.O
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.028g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
147.09g/mol
Monoisotopic Mass:
147.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties