4-Methoxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
Basic information
- CAS
40355-32-6- Standard SMILES
COC1OC(=O)c2cccc3ccc4cccc1c4c23- InChIKey
NRHGDBIDJDZTMH-UHFFFAOYSA-N- Molecular formula
- C17H12O3
- Average molar mass
- 264.27 g/mol
- Monoisotopic mass
- 264.07864424
Names & identifiers
- Preferred name
- 4-Methoxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
- IUPAC
- 4-methoxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
Names & synonyms
NSC40855540355-32-6DTXSID10325079NSC-4085556-Methoxyphenanthro[4,5-cde]oxepin-4(6H)-one
Database identifiers
- CAS
40355-32-6- PubChem CID
- 349010
- DTXSID
DTXSID10325079
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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