Home Other Building Blocks ethyl 3-cyano-2-hydroxy-2-(1-methyl-1H-imidazol-2-yl)propanoate

ethyl 3-cyano-2-hydroxy-2-(1-methyl-1H-imidazol-2-yl)propanoate

CAS No.:
929972-15-6
Catalog Number:
AG019KIG
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
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Product Description
Catalog Number:
AG019KIG
Chemical Name:
ethyl 3-cyano-2-hydroxy-2-(1-methyl-1H-imidazol-2-yl)propanoate
CAS Number:
929972-15-6
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
MDL Number:
MFCD09040500
IUPAC Name:
ethyl 3-cyano-2-hydroxy-2-(1-methylimidazol-2-yl)propanoate
InChI:
InChI=1S/C10H13N3O3/c1-3-16-9(14)10(15,4-5-11)8-12-6-7-13(8)2/h6-7,15H,3-4H2,1-2H3
InChI Key:
OZYCGJKFZMDCPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1nccn1C)(CC#N)O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties