Home Other Building Blocks Ethyl 1h-1,2,4-triazol-5-ylacetate

Ethyl 1h-1,2,4-triazol-5-ylacetate

CAS No.:
23159-61-7
Catalog Number:
AG002MEG
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG002MEG
Chemical Name:
Ethyl 1h-1,2,4-triazol-5-ylacetate
CAS Number:
23159-61-7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD03768206
IUPAC Name:
ethyl 2-(1H-1,2,4-triazol-5-yl)acetate
InChI:
InChI=1S/C6H9N3O2/c1-2-11-6(10)3-5-7-4-8-9-5/h4H,2-3H2,1H3,(H,7,8,9)
InChI Key:
QWKGDUKXNRZJDH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ncn[nH]1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties