Basic information
- CAS
71172-98-0- Standard SMILES
CCCCCCCOC(=O)c1cccs1- InChIKey
GHJPQRYSNYFFLJ-UHFFFAOYSA-N- Molecular formula
- C12H18O2S
- Average molar mass
- 226.34 g/mol
- Monoisotopic mass
- 226.10275099
Names & identifiers
- Preferred name
- Heptyl 2-thiophenecarboxylate
- IUPAC
- heptyl thiophene-2-carboxylate
Names & synonyms
Heptyl 2-thiophenecarboxylate71172-98-0Heptyl 2-thiophenecarboxylate #GHJPQRYSNYFFLJ-UHFFFAOYSA-NDTXSID6010319752-Thiophenecarboxylic acid, heptyl ester
Database identifiers
- CAS
71172-98-0- PubChem CID
- 574115
- DTXSID
DTXSID601031975- Nikkaji
- J190.768I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…