tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

• ChemBase ID: 798160
• Molecular Formular: C11H10
• Molecular Mass: 142.1971
• Monoisotopic Mass: 142.07825032
• SMILES: c1cc2c(cc1)C1C=CC2C1
• Canonical SMILES: C1=CC2CC1c1c2cccc1
• InChI: InChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2
• InChIKey: IEGYXSAHRKJELM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[6.2.1.0^2,^7]undeca-2(7),3,5,9-tetraene
• IUPAC Traditional name: tricyclo[6.2.1.0^2,^7]undeca-2(7),3,5,9-tetraene
• Synonyms: 1,4-dihydro-1,4-methanoNaphthalene

Database IDs

• CAS Number: 4453-90-1

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.729322
• LogD (pH = 7.4): 2.729322
• Log P: 2.729322
• Molar Refractivity: 47.3508 cm^3
• Polarizability: 17.900011 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%