Home Carboxys sodium 5-ethyl-4H-1,2,4-triazole-3-carboxylate

sodium 5-ethyl-4H-1,2,4-triazole-3-carboxylate

CAS No.:
2138228-39-2
Catalog Number:
AG01EK4T
Molecular Formula:
C5H6N3NaO2
Molecular Weight:
163.1098
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Product Description
Catalog Number:
AG01EK4T
Chemical Name:
sodium 5-ethyl-4H-1,2,4-triazole-3-carboxylate
CAS Number:
2138228-39-2
Molecular Formula:
C5H6N3NaO2
Molecular Weight:
163.1098
MDL Number:
MFCD31558641
IUPAC Name:
sodium;5-ethyl-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C5H7N3O2.Na/c1-2-3-6-4(5(9)10)8-7-3;/h2H2,1H3,(H,9,10)(H,6,7,8);/q;+1/p-1
InChI Key:
FWZUREOPVMGEPP-UHFFFAOYSA-M
SMILES:
CCc1nnc([nH]1)C(=O)[O-].[Na+]
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.036g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.112g/mol
Monoisotopic Mass:
163.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties