Ethyl 2-(ethoxymethylene)-3-oxobutanoate
Basic information
- CAS
66975-53-9- Standard SMILES
CCO/C=C(/C(C)=O)C(=O)OCC- InChIKey
FNASCUBBFNCFQO-VURMDHGXSA-N- Molecular formula
- C9H14O4
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.08920892
Names & identifiers
- Preferred name
- Ethyl 2-(ethoxymethylene)-3-oxobutanoate
- IUPAC
- ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate
- English name
- Butanoic acid, 2-(ethoxyMethylene)-3-oxo-, ethyl ester, (2Z)-
- Molecular formula
- C9H14O4
- Molecular weight
- 186.21
Names & synonyms
ethyl 2-(ethoxymethylene)-3-oxobutanoate66975-53-92-(Ethoxymethylene)-3-oxobutanoic acid ethyl ester(Z)-Ethyl 2-(ethoxymethylene)-3-oxobutanoateethyl (Z)-2-(ethoxymethylene)-3-oxobutanoateEthyl 2-Acetyl-3-ethoxyacrylateMFCD09959866EINECS 223-259-3MFCD06797311AKOS023091002UAT78XU9YAButanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester, (2Z)-
Show more names
SCHEMBL4197379FNASCUBBFNCFQO-VURMDHGXSA-NBBL100041SBB054130AKOS005169871DS-12313Ethyl cis-2-(ethoxymethylene)acetoacetateDB-160949
Database identifiers
- CAS
66975-53-9- PubChem CID
- 5355337
- UNII
- UAT78XU9YA
- Nikkaji
- J2.133.166J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 268.8 · 268.8±30.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
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Compound notes
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