{3-methylbicyclo[2.2.1]heptan-2-yl}methanol

• ChemBase ID: 110730
• Molecular Formular: C9H16O
• Molecular Mass: 140.22274
• Monoisotopic Mass: 140.12011513
• SMILES: CC1C2CCC(C2)C1CO
• Canonical SMILES: OCC1C2CCC(C1C)C2
• InChI: InChI=1S/C9H16O/c1-6-7-2-3-8(4-7)9(6)5-10/h6-10H,2-5H2,1H3
• InChIKey: NMGSGTKBIPOQSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-methylbicyclo[2.2.1]heptan-2-yl}methanol
• IUPAC Traditional name: {3-methylbicyclo[2.2.1]heptan-2-yl}methanol
• Synonyms: 3-METHYLNORCAMPHANE-2-METHANOL

Database IDs

• CAS Number: 6968-75-8
• PubChem SID: 162095906
• PubChem CID: 97995

CALCULATED PROPERTIES

• Acid pKa: 18.152685
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5484688
• LogD (pH = 7.4): 1.548469
• Log P: 1.548469
• Molar Refractivity: 41.2489 cm^3
• Polarizability: 16.468021 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:10
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05216111

MP Biomedicals Rare Chemical collection