Basic information
- Standard SMILES
COc1ccc2c(c1)C(=O)CCCC2- InChIKey
JXRMNNQXGGHSQM-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
Names & identifiers
- Preferred name
- 3-Methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- IUPAC
- 3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Names & synonyms
6500-62-53-Methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one3-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-oneMFCD115908413-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one6,7,8,9-Tetrahydro-3-methoxy-5H-benzocyclohepten-5-oneSCHEMBL5146484JXRMNNQXGGHSQM-UHFFFAOYSA-NAKOS012024994SB38128SY365587DB-294431
Show more names
CS-0303294EN300-1256403-methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one3-methoxy-5-oxo-6,7,8,9-tetrahydro-5H-benzocycloheptene
Database identifiers
- PubChem CID
- 13357441
- Nikkaji
- J1.404.417E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
6 records
Compound notes
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