Home Carboxys Ethyl 1H-1,2,4-triazole-5-carboxylate

Ethyl 1H-1,2,4-triazole-5-carboxylate

CAS No.:
64922-04-9
Catalog Number:
AG00EJUT
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00EJUT
Chemical Name:
Ethyl 1H-1,2,4-triazole-5-carboxylate
CAS Number:
64922-04-9
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD00619109
IUPAC Name:
ethyl 1H-1,2,4-triazole-5-carboxylate
InChI:
InChI=1S/C5H7N3O2/c1-2-10-5(9)4-6-3-7-8-4/h3H,2H2,1H3,(H,6,7,8)
InChI Key:
DHZYWCBUDKTLGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]cn1
NSC Number:
80859
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties