1a,11b-Dihydro-11-methylbenz(a)anthra(5,6-b)oxirene
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Basic information
- CAS
1155-38-0- Standard SMILES
Cc1c2c(cc3ccccc13)-c1ccccc1C1OC21- InChIKey
MFBSRFKHKCKLIC-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- 1a,11b-Dihydro-11-methylbenz(a)anthra(5,6-b)oxirene
- IUPAC
- 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene
- English name
- 7-methylbenzanthracene 5,6-oxide
- Molecular weight
- 0
Names & synonyms
7-Methylbenzanthracene 5,6-oxide1155-38-07-Methylbenz(a)anthracene 5,6-oxide7-Methylbenz[a]anthracene 5,6-oxideRefChem:9083061a,11b-Dihydro-11-methylbenz(a)anthra(5,6-b)oxirene7-Methylbenz(a)anthracene-5,6-oxideBenz(a)anthracene, 5,6-dihydro-5,6-epoxy-7-methyl-5,6-Epoxy-5,6-dihydro-7-methylbenz(a)anthraceneBenz[a]anthracene, 5,6-epoxy-5,6-dihydro-7-methyl-BENZ(a)ANTHRACENE, 5,6-EPOXY-5,6-DIHYDRO-7-METHYL-CCRIS 1118
Show more names
5,6-Epoxy-5,6-dihydro-7-methylbenz[a]anthracene
7-Methylbenz(a)anthracene 5,6 oxide7-Methylbenz[a]anthracene 5,6-epoxide1a,11b-Dihydro-11-methylbenz(3,4)anthra(1,2-b)oxirene11-methyl-1a,11b-dihydrotetrapheno[5,6-b]oxireneDTXSID30921739MFBSRFKHKCKLIC-UHFFFAOYSA-NBenz[3,4]anthra[1,2-b]oxirene, 1a,11b-dihydro-11-methyl-11-Methyl-1a,11b-dihydrobenzo[3,4]anthra[1,2-b]oxirene #
Database identifiers
- CAS
1155-38-0- PubChem CID
- 14388
- DTXSID
DTXSID30921739- Nikkaji
- J3.662E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 361.57 °C · 361.57°C (rough estimate)
- Density
- 1.0651 · 1.0651 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- CAS DataBase Reference
- 1155 · 1155-38-0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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