9,10-diethoxyanthracene

• ChemBase ID: 295411
• Molecular Formular: C18H18O2
• Molecular Mass: 266.33432
• Monoisotopic Mass: 266.13067982
• SMILES: CCOc1c2ccccc2c(c2c1cccc2)OCC
• Canonical SMILES: CCOc1c2ccccc2c(c2c1cccc2)OCC
• InChI: InChI=1S/C18H18O2/c1-3-19-17-13-9-5-7-11-15(13)18(20-4-2)16-12-8-6-10-14(16)17/h5-12H,3-4H2,1-2H3
• InChIKey: GJNKQJAJXSUJBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-diethoxyanthracene
• IUPAC Traditional name: 9,10-diethoxyanthracene
• Synonyms: 9,10-Diethoxyanthracene; 9,10-二乙氧基蒽

Database IDs

• CAS Number: 68818-86-0
• EC Number: 272-401-0
• MDL Number: MFCD00209643
• PubChem SID: 180680942
• PubChem CID: 111623

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.350473
• LogD (pH = 7.4): 4.350473
• Log P: 4.350473
• Molar Refractivity: 81.382 cm^3
• Polarizability: 34.24523 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149-151°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%