6-(acetyloxy)naphthalen-2-yl acetate

• ChemBase ID: 798133
• Molecular Formular: C14H12O4
• Molecular Mass: 244.24268
• Monoisotopic Mass: 244.07355886
• SMILES: C(=O)(C)Oc1ccc2c(ccc(c2)OC(=O)C)c1
• Canonical SMILES: CC(=O)Oc1ccc2c(c1)ccc(c2)OC(=O)C
• InChI: InChI=1S/C14H12O4/c1-9(15)17-13-5-3-12-8-14(18-10(2)16)6-4-11(12)7-13/h3-8H,1-2H3
• InChIKey: JTUIDPCUTRXCPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(acetyloxy)naphthalen-2-yl acetate
• IUPAC Traditional name: 6-(acetyloxy)naphthalen-2-yl acetate
• Synonyms: 2,6-Naphthalenediol diacetate

Database IDs

• CAS Number: 22426-47-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1772444
• LogD (pH = 7.4): 2.1772444
• Log P: 2.1772444
• Molar Refractivity: 64.773 cm^3
• Polarizability: 26.678463 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%