Basic information
- Standard SMILES
COC(=O)C1C(=O)CCc2cccc(OC)c21- InChIKey
HEABAIWNVBBYPH-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-8-methoxy-2-oxo-1-naphthalene carboxylic acid methyl ester
- IUPAC
- methyl 8-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
Names & synonyms
SCHEMBL7935755HEABAIWNVBBYPH-UHFFFAOYSA-N1,2,3,4-tetrahydro-8-methoxy-2-oxo-1-naphthalene carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 9991616
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
5 records
Compound notes
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