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

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

CAS No.:
2126178-24-1
Catalog Number:
AG01EK3A
Molecular Formula:
C7H8N3NaO2
Molecular Weight:
189.1471
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Product Description
Catalog Number:
AG01EK3A
Chemical Name:
sodium 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)acetate
CAS Number:
2126178-24-1
Molecular Formula:
C7H8N3NaO2
Molecular Weight:
189.1471
MDL Number:
MFCD31381344
IUPAC Name:
sodium;2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)acetate
InChI:
InChI=1S/C7H9N3O2.Na/c11-6(12)3-5-8-7(10-9-5)4-1-2-4;/h4H,1-3H2,(H,11,12)(H,8,9,10);/q;+1/p-1
InChI Key:
FORIGTDGIIFVOH-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1n[nH]c(n1)C1CC1.[Na+]
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.15g/mol
Monoisotopic Mass:
189.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties