Home Carboxys sodium 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate

sodium 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate

CAS No.:
1989659-64-4
Catalog Number:
AG01B6PR
Molecular Formula:
C5H6N3NaO3
Molecular Weight:
179.1092
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Product Description
Catalog Number:
AG01B6PR
Chemical Name:
sodium 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate
CAS Number:
1989659-64-4
Molecular Formula:
C5H6N3NaO3
Molecular Weight:
179.1092
MDL Number:
MFCD30342905
IUPAC Name:
sodium;5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C5H7N3O3.Na/c1-11-2-3-6-4(5(9)10)8-7-3;/h2H2,1H3,(H,9,10)(H,6,7,8);/q;+1/p-1
InChI Key:
CXFRPEBDVRCDER-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nc([nH]n1)COC.[Na+]
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.111g/mol
Monoisotopic Mass:
179.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties