Basic information
- CAS
15725-25-4- Standard SMILES
CCOC(=O)C(=Cc1cccc(OC)c1)C(C)=O- InChIKey
DZSCCQUQJNHJIO-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- Ethyl 2-[(3-methoxyphenyl)methylidene]-3-oxobutanoate
- IUPAC
- ethyl 2-[(3-methoxyphenyl)methylidene]-3-oxobutanoate
- English name
- 2-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl ester
- Molecular formula
- C14H16O4
- Molecular weight
- 248.27
Names & synonyms
ethyl 2-[(3-methoxyphenyl)methylidene]-3-oxobutanoate15725-25-4ethyl-2-(3-methoxybenzyliden)acetoacetateSCHEMBL72711802-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl esterDTXSID30327217DZSCCQUQJNHJIO-UHFFFAOYSA-NDB-3195592-[(3-methoxyphenyl)methylene]-3-oxobutanoic acid, ethyl ester2-(3-Methoxybenzylidene)acetoacetic acid ethyl esterButanoic acid, 2-[(3-methoxyphenyl)methylene]-3-oxo-, ethyl ester
Database identifiers
- CAS
15725-25-4- PubChem CID
- 367496
- DTXSID
DTXSID30327217
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
LogP2.34
Related reactions
1 records
Compound notes
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