Basic information
- CAS
63018-40-6- Standard SMILES
COC(=O)Cc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
NPXQCYDDEJLMFO-UHFFFAOYSA-N- Molecular formula
- C21H16O2
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.11502975
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACEN-7-ACETIC ACID, METHYL ESTER
- IUPAC
- methyl 2-benzo[a]anthracen-7-ylacetate
- English name
- Methyl Benz[a]anthracene-7-acetate
- Molecular formula
- C21H16O2
- Molecular weight
- 300.35
Names & synonyms
63018-40-6Benz[a]anthracene-7-acetic Acid Methyl Estermethyl 2-benzo[a]anthracen-7-ylacetateBENZ(a)ANTHRACEN-7-ACETIC ACID, METHYL ESTERMethyl Benz[a]anthracene-7-acetate1,2-Benzanthracene-10-acetic acid, methyl esterMethyl (tetraphen-7-yl)acetateDTXSID40212241NCA01840DB-264344
Database identifiers
- CAS
63018-40-6- PubChem CID
- 44261
- DTXSID
DTXSID40212241- Nikkaji
- J73.173K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 401.58 °C · 401.58°C (rough estimate)
- Density
- 1.1027 · 1.1027 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- solubility
- Chloroform, Dichloromethane, Tetrahydrofuran
- form
- Solid
- color
- Brown
Chemistry & industry
Applications
UsesBenzanthracene derivative. Intermediate in the synthesis of growth-inhibitory polycyclic compounds.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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