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

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

CAS No.:
2138533-21-6
Catalog Number:
AG01EK5E
Molecular Formula:
C6H6N3NaO2
Molecular Weight:
175.1205
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Product Description
Catalog Number:
AG01EK5E
Chemical Name:
sodium 3-cyclopropyl-1H-1,2,4-triazole-5-carboxylate
CAS Number:
2138533-21-6
Molecular Formula:
C6H6N3NaO2
Molecular Weight:
175.1205
MDL Number:
MFCD31559028
IUPAC Name:
sodium;5-cyclopropyl-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C6H7N3O2.Na/c10-6(11)5-7-4(8-9-5)3-1-2-3;/h3H,1-2H2,(H,10,11)(H,7,8,9);/q;+1/p-1
InChI Key:
JHUWZCRWRCUNOR-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1[nH]nc(n1)C1CC1.[Na+]
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.123g/mol
Monoisotopic Mass:
175.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties