Home Other Building Blocks sodium 2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)acetate

sodium 2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)acetate

CAS No.:
1240528-61-3
Catalog Number:
AG01A8SC
Molecular Formula:
C11H10N3NaO2
Molecular Weight:
239.2058
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Product Description
Catalog Number:
AG01A8SC
Chemical Name:
sodium 2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)acetate
CAS Number:
1240528-61-3
Molecular Formula:
C11H10N3NaO2
Molecular Weight:
239.2058
MDL Number:
MFCD16547548
IUPAC Name:
sodium;2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetate
InChI:
InChI=1S/C11H11N3O2.Na/c1-14-9(7-10(15)16)12-13-11(14)8-5-3-2-4-6-8;/h2-6H,7H2,1H3,(H,15,16);/q;+1/p-1
InChI Key:
RARHJXNBIAVCCT-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1nnc(n1C)c1ccccc1.[Na+]
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.21g/mol
Monoisotopic Mass:
239.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties