cis-3-Hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one

Base Information

• Chemical Name: cis-3-Hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one
• CAS No.: 871482-67-6
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• DSSTox Substance ID: DTXSID60478842
• Wikidata: Q82312484
• Mol file: 871482-67-6.mol

Synonyms:cis-3-Hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one;DTXSID60478842;AKOS006288892

Chemical Property of cis-3-Hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one

Chemical Property:

• Vapor Pressure: 0.000311mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 285.8°C at 760 mmHg
• Flash Point: 120°C
• PSA: 37.30000
• Density: 1.158g/cm³
• LogP: 2.20750
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

CIS-3-HYDROXY-2-METHYL-3-ALPHA,4,5,6,7,7-ALPHA-HEXAHYDROINDEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2CCCCC2C1=O)O
• Isomeric SMILES: CC1=C([C@@H]2CCCC[C@@H]2C1=O)O