Basic information
- Standard SMILES
COC(=O)C1=Cc2cc(OC)ccc2CCC1- InChIKey
KPJQYVBPXQXJPQ-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- methyl 2-methoxy-6,7-dihydro-5H-benzocycloheptene-8-carboxylate
- IUPAC
- methyl 3-methoxy-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
Names & synonyms
SCHEMBL7218351KPJQYVBPXQXJPQ-UHFFFAOYSA-Nmethyl 2-methoxy-6,7-dihydro-5H-benzocycloheptene-8-carboxylate
Database identifiers
- PubChem CID
- 22990091
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Related reactions
4 records
Compound notes
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