1,2-Epoxy-1,2,3,4-tetrahydrochrysene
Basic information
- CAS
72045-57-9- Standard SMILES
c1ccc2c(c1)ccc1c3c(ccc12)C1OC1CC3- InChIKey
WERJZZMCMNINPA-UHFFFAOYSA-N- Molecular formula
- C18H14O
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.10446507
Names & identifiers
- Preferred name
- 1,2-Epoxy-1,2,3,4-tetrahydrochrysene
- IUPAC
- 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
Names & synonyms
72045-57-9BRN 55603051,2-Epoxy-1,2,3,4-tetrahydrochryseneCHRYSENE, 1,2,3,4-TETRAHYDRO-1,2-EPOXY-SCHEMBL27553049DTXSID209927511a,2,3,11b-Tetrahydrochryseno[1,2-b]oxirene
Database identifiers
- CAS
72045-57-9- PubChem CID
- 51531
- DTXSID
DTXSID20992751- Nikkaji
- J86.734I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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