BENZ(a)ANTHRACENE-7-ETHANOL
Basic information
- CAS
63020-45-1- Standard SMILES
OCCc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
NKALMYNXJQQHFR-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE-7-ETHANOL
- IUPAC
- 2-benzo[a]anthracen-7-ylethanol
- English name
- Benz[a]anthracene-7-ethanol
- Molecular formula
- C20H16O
- Molecular weight
- 272.34
Names & synonyms
BENZ(a)ANTHRACENE-7-ETHANOLBenz[a]anthracene-7-ethanol63020-45-1BRN 333513310-beta-Hydroxyethyl-1:2-benzanthracene2-(tetraphen-7-yl)ethan-1-olSCHEMBL2312432DTXSID20212289DB-318632
Database identifiers
- CAS
63020-45-1- PubChem CID
- 44312
- DTXSID
DTXSID20212289- Nikkaji
- J73.216H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
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)
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Related reactions
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Compound notes
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