anthracene-9,10-diol

• ChemBase ID: 125550
• Molecular Formular: C14H10O2
• Molecular Mass: 210.228
• Monoisotopic Mass: 210.06807956
• SMILES: Oc1c2c(cccc2)c(O)c2c1cccc2
• Canonical SMILES: Oc1c2ccccc2c(c2c1cccc2)O
• InChI: InChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H
• InChIKey: PCFMUWBCZZUMRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anthracene-9,10-diol
• IUPAC Traditional name: 9,10-dihydroxyanthracene
• Synonyms: 9,10-Dihydroxyanthracene

Database IDs

• CAS Number: 4981-66-2
• PubChem SID: 162219900
• PubChem CID: 21082
• Chemspider ID: 19827
• KEGG ID: C16206
• Wikipedia Title: 9,10-Dihydroxyanthracene

CALCULATED PROPERTIES

• Polarizability: 26.704836 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 8.939958
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.344912
• LogD (pH = 7.4): 3.3327901
• Log P: 3.3450687
• Molar Refractivity: 62.9202 cm^3