Basic information
- Standard SMILES
CCOC(=O)C=CC#Cc1ccccc1C(=O)OC- InChIKey
KYHKABNUGPGIGF-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
Names & identifiers
- Preferred name
- 2-(4-Ethoxycarbonyl-but-3-en-1-ynyl)-benzoic acid methyl ester
- IUPAC
- methyl 2-(5-ethoxy-5-oxopent-3-en-1-ynyl)benzoate
Names & synonyms
SCHEMBL3890161KYHKABNUGPGIGF-UHFFFAOYSA-N2-(4-Ethoxycarbonyl-but-3-en-1-ynyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 76556502
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Related reactions
2 records
Compound notes
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