Home Carboxys Ethyl imidazole-4-carboxylate

Ethyl imidazole-4-carboxylate

CAS No.:
23785-21-9
Catalog Number:
AG00BBXV
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$14
- +
10g
95%
In Stock USA
United States
$39
- +
Product Description
Catalog Number:
AG00BBXV
Chemical Name:
Ethyl imidazole-4-carboxylate
CAS Number:
23785-21-9
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD02646639
IUPAC Name:
ethyl 1H-imidazole-5-carboxylate
InChI:
InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8)
InChI Key:
KLWYPRNPRNPORS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc[nH]1
UNII:
NIC7LR0ZON
NSC Number:
191283
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Ring-substituted imidazoles as a new class of anti-tuberculosis agents. European journal of medicinal chemistry 20040901
Properties