CCOC=C(C#N)C(=O)OCC
Name: ethyl 2-cyano-3-ethoxyprop-2-enoate
SMILES: CCOC=C(C#N)C(=O)OCC

Molecular Processing

Molecular formula
C8H11NO3
Molecular weight
169.18
Exact mass
169.0739
XLogP
0.99
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
41.96

Supplementary Information

InChIKey: KTMGNAIGXYODKQ-UHFFFAOYSA-N
Synonyme
DTXSID4059097RefChem:197938DTXCID50488952-Propenoic acid, 2-cyano-3-ethoxy-, ethyl esterethyl 2-cyano-3-ethoxy-prop-2-enoateEthyl 2-(Ethoxymethylene)-2-cyanoacetateEthyl(ethoxymethylene)cyanoacetateethylethoxymethylenecyanoacetateSCHEMBL167037ethyl-2-cyano-3-ethoxyacrylateethyl 2-cyano-3-ethyoxyacrylateethyl ethoxy-methylenecyanoacetateEthyl 2-cyano-3-ethoxy-acrylateethyl 3-ethoxy-2-cyanopropenoateKTMGNAIGXYODKQ-UHFFFAOYSA-Nethyl ethoxy-methylene-cyanoacetateethyl(ethoxymethylene)-cyanoacetateAcrylic acid, 2-cyano-3-ethoxy-, ethyl ester (6CI,7CI,8CI); 2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester; 2-Cyano-3-ethoxy-2-propenoic acid ethyl esterethyl (ethoxymethylene)-cyanoacetateethyl(ethoxy-methylene)-cyanoacetateethyl(ethoxymethylene)-cyano-acetateethyl 2-ethoxymethylene-2-cyanoacetateAB09092ethyl 2-(ethoxymethylene)-2-cyanacetateethoxymethylenecyanoacetic acid ethyl esterEthyl-2-cyano-3-(ethyloxy)-2-propenoateDB-057464ethoxymethylene-cyanoacetic acid ethyl ester1-cyano-1-(ethoxycarbonyl)-2-ethoxyethyleneNS00077587
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