Home Other Building Blocks sodium 2-(1-methyl-1H-1,2,4-triazol-5-yl)acetate

sodium 2-(1-methyl-1H-1,2,4-triazol-5-yl)acetate

CAS No.:
2137970-32-0
Catalog Number:
AG01EK2U
Molecular Formula:
C5H6N3NaO2
Molecular Weight:
163.1098
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Product Description
Catalog Number:
AG01EK2U
Chemical Name:
sodium 2-(1-methyl-1H-1,2,4-triazol-5-yl)acetate
CAS Number:
2137970-32-0
Molecular Formula:
C5H6N3NaO2
Molecular Weight:
163.1098
MDL Number:
MFCD31558935
IUPAC Name:
sodium;2-(2-methyl-1,2,4-triazol-3-yl)acetate
InChI:
InChI=1S/C5H7N3O2.Na/c1-8-4(2-5(9)10)6-3-7-8;/h3H,2H2,1H3,(H,9,10);/q;+1/p-1
InChI Key:
AMDUBBWZNNOUPG-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1ncnn1C.[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:
0
Isotope Atom Count:
0
Molecular Weight:
163.112g/mol
Monoisotopic Mass:
163.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties