Basic information
- Standard SMILES
CCOC=C(C#N)C(=O)OCC- InChIKey
KTMGNAIGXYODKQ-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester
- IUPAC
- ethyl 2-cyano-3-ethoxyprop-2-enoate
Names & synonyms
DTXSID4059097RefChem:197938DTXCID50488952-PROPENOIC ACID, 2-CYANO-3-ETHOXY-, ETHYL ESTERethyl 2-cyano-3-ethoxy-prop-2-enoateEthyl 2-(Ethoxymethylene)-2-cyanoacetateEthyl(ethoxymethylene)cyanoacetate2-CYANO-3-ETHOXY-ACRYLIC ACID ETHYL ESTERethylethoxymethylenecyanoacetateSCHEMBL167037ethyl-2-cyano-3-ethoxyacrylateethyl 2-cyano-3-ethyoxyacrylate
Show more names
ethyl 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)-cyanoacetate
Database identifiers
- CAS
94-05-3- PubChem CID
- 78943
- DTXSID
DTXSID4059097
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Safety & regulation
Hazard information
Regulatory InformationEthyl ethoxymethylenecyanoacetate: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester: ACTIVE
Related reactions
186 records
Linked notes
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