Methyl 13-oxotricyclo[8.2.1.0(3),8]trideca-3(8),4,6-triene-5-carboxylate

HCID 21882835

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

Related reactions

3 records

Compound notes

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