6-methylazulene

• ChemBase ID: 79712
• Molecular Formular: C11H10
• Molecular Mass: 142.1971
• Monoisotopic Mass: 142.07825032
• SMILES: Cc1ccc2c(ccc2)cc1
• Canonical SMILES: Cc1ccc2c(cc1)ccc2
• InChI: InChI=1S/C11H10/c1-9-5-7-10-3-2-4-11(10)8-6-9/h2-8H,1H3
• InChIKey: ZEQVWDSVAGZQEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylazulene
• IUPAC Traditional name: 6-methylazulene
• Synonyms: 6-Methylazulene

Database IDs

• MDL Number: MFCD00204441
• PubChem SID: 162044475
• PubChem CID: 137139

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.476144
• LogD (pH = 7.4): 3.476144
• Log P: 3.476144
• Molar Refractivity: 47.5494 cm^3
• Polarizability: 19.82302 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant