anthracene-1,4,9,10-tetrol

• ChemBase ID: 798724
• Molecular Formular: C14H10O4
• Molecular Mass: 242.2268
• Monoisotopic Mass: 242.0579088
• SMILES: c1ccc2c(c3c(ccc(c3c(c2c1)O)O)O)O
• Canonical SMILES: Oc1ccc(c2c1c(O)c1ccccc1c2O)O
• InChI: InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-18H
• InChIKey: BKNBVEKCHVXGPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anthracene-1,4,9,10-tetrol
• IUPAC Traditional name: anthracene-1,4,9,10-tetrol
• Synonyms: 1,4,9,10-tetrahydroxy-anthracene

Database IDs

• CAS Number: 476-60-8

CALCULATED PROPERTIES

• Acid pKa: 8.305785
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 2.7372637
• LogD (pH = 7.4): 2.686716
• Log P: 2.737938
• Molar Refractivity: 66.882 cm^3
• Polarizability: 27.788067 Å^3
• Polar Surface Area: 80.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%