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Basic information
- Standard SMILES
CCOC(=O)C1(c2cccs2)CCC=CCC1- InChIKey
RDSROPKULHPNBC-UHFFFAOYSA-N- Molecular formula
- C14H18O2S
- Average molar mass
- 250.36 g/mol
Names & identifiers
- Preferred name
- 1-Thiophen-2-yl-cyclohept-4-enecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-thiophen-2-ylcyclohept-4-ene-1-carboxylate
Names & synonyms
SCHEMBL1428238RDSROPKULHPNBC-UHFFFAOYSA-N1-Thiophen-2-yl-cyclohept-4-enecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58348331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
4 records
Compound notes
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