Basic information
- CAS
63019-25-0- Standard SMILES
CC12OC(C)(c3ccccc31)c1c2ccc2ccccc12- InChIKey
VODWUUURUIFALR-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- 7,12-Dihydro-7,12-dimethyl-7,12-epoxybenz(a)anthracene
- IUPAC
- 1,12-dimethyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene
- English name
- 7,12-Dihydro-7,12-dimethyl-7,12-epoxybenz[a]anthracene
- Molecular formula
- C20H16O
- Molecular weight
- 272.34
Names & synonyms
63019-25-07,12-Dihydro-7,12-dimethyl-7,12-epoxybenz(a)anthracene7,12-Dihydro-7,12-dimethyl-7,12-epoxybenz[a]anthraceneBRN 02487929:10-Dimethyl-1:2-benzanthracene-9:10-oxideBENZ(a)ANTHRACENE, 7,12-DIHYDRO-7,12-DIMETHYL-7,12-EPOXY-4-17-00-00738 (Beilstein Handbook Reference)DTXSID00978912DB-3072247,12-Dimethyl-7,12-dihydro-7,12-epoxytetraphene7,12-Epoxybenz[a]anthracene, 7,12-dihydro-7,12-dimethyl-
Database identifiers
- CAS
63019-25-0- PubChem CID
- 44280
- DTXSID
DTXSID00978912- Nikkaji
- J73.229J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 375.4 °C · 375.4°C (rough estimate)
- Density
- 1.0523 · 1.0523 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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