Basic information
- CAS
63018-62-2- Standard SMILES
CC(=O)OCc1c2ccccc2c(COC(C)=O)c2c1ccc1ccccc12- InChIKey
XHCONXDVEAQFIQ-UHFFFAOYSA-N- Molecular formula
- C24H20O4
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.13615911
Names & identifiers
- Preferred name
- Benz(a)anthracene-7,12-dimethanol, diacetate
- IUPAC
- [12-(acetyloxymethyl)benzo[a]anthracen-7-yl]methyl acetate
- English name
- Benz[a]anthracene-7,12-dimethanol=diacetate
- Molecular formula
- C24H20O4
- Molecular weight
- 372.41
Names & synonyms
63018-62-2Benz(a)anthracene-7,12-dimethanol, diacetateBenz[a]anthracene-7,12-dimethanol, diacetateBRN 23095409,10-Bisacetoxymethyl-1,2-benzanthracene[12-(acetyloxymethyl)benzo[a]anthracen-7-yl]methyl acetateAcetic acid, benz(a)anthracene-7,12-dimethanol diesterU73DJG3FXV3-06-00-05846 (Beilstein Handbook Reference)DTXSID00212247Benz(a)anthracene-7,12-dimethyl diacetateDB-318630
Show more names
Benz[a]anthracene-7,12-dimethanol=diacetate
Benz[a]anthracene-7,12-dimethanol diacetate(Tetraphene-7,12-diyl)bis(methylene) diacetateBenz[a]anthracene-7,12-dimethanol, 7,12-diacetate
Database identifiers
- CAS
63018-62-2- PubChem CID
- 44267
- DTXSID
DTXSID00212247- UNII
- U73DJG3FXV
- Nikkaji
- J73.230C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Boiling point
- 461.87 °C · 461.87°C (rough estimate)
- Density
- 1.1432 · 1.1432 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 73 DJG3FXV · U73DJG3FXV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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