Basic information
- Standard SMILES
COC(=O)C=CC=CCS(=O)c1ccccc1- InChIKey
XLOCPWIVMGUTSP-UHFFFAOYSA-N- Molecular formula
- C13H14O3S
- Average molar mass
- 250.32 g/mol
Names & identifiers
- Preferred name
- 6-Benzenesulfinyl-hexa-2,4-dienoic acid methyl ester
- IUPAC
- methyl 6-(benzenesulfinyl)hexa-2,4-dienoate
Names & synonyms
SCHEMBL3185995XLOCPWIVMGUTSP-UHFFFAOYSA-N6-Benzenesulfinyl-hexa-2,4-dienoic acid methyl ester
Database identifiers
- PubChem CID
- 85100285
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
4 records
Compound notes
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