Home Other Building Blocks sodium 2-(1H-1,2,4-triazol-1-yl)acetate

sodium 2-(1H-1,2,4-triazol-1-yl)acetate

CAS No.:
583858-39-3
Catalog Number:
AG019O7X
Molecular Formula:
C4H4N3NaO2
Molecular Weight:
149.0832
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Product Description
Catalog Number:
AG019O7X
Chemical Name:
sodium 2-(1H-1,2,4-triazol-1-yl)acetate
CAS Number:
583858-39-3
Molecular Formula:
C4H4N3NaO2
Molecular Weight:
149.0832
MDL Number:
MFCD06681170
IUPAC Name:
sodium;2-(1,2,4-triazol-1-yl)acetate
InChI:
InChI=1S/C4H5N3O2.Na/c8-4(9)1-7-3-5-2-6-7;/h2-3H,1H2,(H,8,9);/q;+1/p-1
InChI Key:
IZYZVGMQWYKDBW-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cn1cncn1.[Na+]
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.02g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.085g/mol
Monoisotopic Mass:
149.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties