bis(2-methoxyphenyl) carbonate

• ChemBase ID: 90409
• Molecular Formular: C15H14O5
• Molecular Mass: 274.26866
• Monoisotopic Mass: 274.08412355
• SMILES: O(c1c(cccc1)OC)C(=O)Oc1ccccc1OC
• Canonical SMILES: COc1ccccc1OC(=O)Oc1ccccc1OC
• InChI: InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
• InChIKey: ORUJFMPWKPVXLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methoxyphenyl) carbonate
• IUPAC Traditional name: guaiacol carbonate
• Synonyms: Guaiacol carbonate; Bis(2-methoxyphenyl) carbonate; GUAIACYL CARBONATE; Bis(2-methoxyphenyl) carbonate; 双(2-甲氧基苯基)碳酸酯

Database IDs

• CAS Number: 553-17-3
• EC Number: 209-034-2
• MDL Number: MFCD00025723
• Beilstein Number: 2472687
• PubChem SID: 162077219
• PubChem CID: 11104

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.542414
• LogD (pH = 7.4): 3.542414
• Log P: 3.542414
• Molar Refractivity: 71.518 cm^3
• Polarizability: 28.231176 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-88°C; 86-88°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 95+%; 98%

DETAILS

MP Biomedicals - 05203546

MP Biomedicals Rare Chemical collection