Basic information
- Standard SMILES
CCOC(=O)/C(=C/c1ccccc1C)C(C)=O- InChIKey
QPBXBFOCVMDKIL-UKTHLTGXSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- Ethylacetoacetate,2-methylbenzal
- IUPAC
- ethyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxobutanoate
Names & synonyms
Ethylacetoacetate,2-methylbenzalDTXSID80877550Ethyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxobutanoate
Database identifiers
- PubChem CID
- 12377934
- DTXSID
DTXSID80877550
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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