Home Carboxys Methyl 3H-imidazole-4-carboxylate

Methyl 3H-imidazole-4-carboxylate

CAS No.:
17325-26-7
Catalog Number:
AG00357O
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$18
- +
5g
95%
In Stock USA
United States
$38
- +
25g
97%
In Stock USA
United States
$125
- +
100g
97%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00357O
Chemical Name:
Methyl 3H-imidazole-4-carboxylate
CAS Number:
17325-26-7
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00216584
IUPAC Name:
methyl 1H-imidazole-5-carboxylate
InChI:
InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
InChI Key:
DVLGIQNHKLWSRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]cn1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties