Home Other Building Blocks ethyl 2-(4-cyano-1H-imidazol-1-yl)acetate

ethyl 2-(4-cyano-1H-imidazol-1-yl)acetate

CAS No.:
1154030-58-6
Catalog Number:
AG01B7MB
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
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Product Description
Catalog Number:
AG01B7MB
Chemical Name:
ethyl 2-(4-cyano-1H-imidazol-1-yl)acetate
CAS Number:
1154030-58-6
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
MDL Number:
MFCD21336506
IUPAC Name:
ethyl 2-(4-cyanoimidazol-1-yl)acetate
InChI:
InChI=1S/C8H9N3O2/c1-2-13-8(12)5-11-4-7(3-9)10-6-11/h4,6H,2,5H2,1H3
InChI Key:
RICHBBLPKXJZLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cnc(c1)C#N
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties