Basic information
- CAS
18238-41-0- Standard SMILES
CC(=O)Oc1cc2c(cc1OC(C)=O)C(=O)CCCC2- InChIKey
ZNAPJZAAXMTQKT-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Names & identifiers
- Preferred name
- 5-Oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulene-2,3-diyl diacetate
- IUPAC
- (3-acetyloxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) acetate
Names & synonyms
MLS00292041118238-41-0NSC1374625-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulene-2,3-diyl diacetateCHEMBL2356760DTXSID30300525KUC114350NKSC-353-111A-1NSC-137462SMR001798003
Database identifiers
- CAS
18238-41-0- PubChem CID
- 283152
- DTXSID
DTXSID30300525- ChEMBL
CHEMBL2356760- Nikkaji
- J1.422.290A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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