Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)CC1CCC(C2)C1=O- InChIKey
PQQBYYODTLQHRT-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
Names & identifiers
- Preferred name
- Methyl 13-oxotricyclo[8.2.1.0(3),8]trideca-3(8),4,6-triene-5-carboxylate
- IUPAC
- methyl 13-oxotricyclo[8.2.1.03,8]trideca-3(8),4,6-triene-5-carboxylate
Names & synonyms
423169-26-0methyl 13-oxotricyclo[8.2.1.0(3),8]trideca-3(8),4,6-triene-5-carboxylatemethyl 13-oxotricyclo[8.2.1.03,8]trideca-3(8),4,6-triene-5-carboxylateMethyl 13-oxotricyclo[8.2.1.0,8]trideca-3(8),4,6-triene-5-carboxylateSCHEMBL4045891PQQBYYODTLQHRT-UHFFFAOYSA-NMFCD30717732AKOS037655791SS-4952C1C(C2=O)CCC2CC2=CC(C(=O)OC)=CC=C21methyl 13-oxotricyclo[8.2.1.0?,?]trideca-3(8),4,6-triene-5-carboxylateMethyl13-oxotricyclo[8.2.1.0,8]trideca-3(8),4,6-triene-5-carboxylate
Show more names
Methyl 11-Oxo-5,6,7,8,9,10-hexahydro-6,9-methanobenzocyclooctene-2-carboxyl atemethyl 11-oxo-5,6,7,8,9,10-hexahydro-6,9-methanobenzocyclooctene-2-carboxylatemethyl 11-oxo-5,6,7,8,9,10-hexahydro-6.9-methanobenzocyclooctene-2-carboxylate
Database identifiers
- PubChem CID
- 21882835
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Related reactions
3 records
Compound notes
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