1,2,3,4-tetramethoxybenzene

• ChemBase ID: 16009
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: c1c(c(c(c(c1)OC)OC)OC)OC
• Canonical SMILES: COc1c(OC)ccc(c1OC)OC
• InChI: InChI=1S/C10H14O4/c1-11-7-5-6-8(12-2)10(14-4)9(7)13-3/h5-6H,1-4H3
• InChIKey: QCNHIJXDZKTWSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetramethoxybenzene
• IUPAC Traditional name: 1,2,3,4-tetramethoxybenzene
• Synonyms: 1,2,3,4-Tetramethoxybenzene

Database IDs

• CAS Number: 21450-56-6
• MDL Number: MFCD00068614
• PubChem SID: 160979316
• PubChem CID: 607773

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3425608
• LogD (pH = 7.4): 1.3425608
• Log P: 1.3425608
• Molar Refractivity: 51.9108 cm^3
• Polarizability: 20.426447 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%