1,4abeta-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

Base Information

• Chemical Name: 1,4abeta-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
• CAS No.: 35493-01-7
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.274
• DSSTox Substance ID: DTXSID301178794
• Nikkaji Number: J836.801E
• Mol file: 35493-01-7.mol

Synonyms:SCHEMBL11960942;DTXSID301178794;(4aS)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-2(3H)-naphthalenone;1,4abeta-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one;35493-01-7

Chemical Property of 1,4abeta-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2CCCCC2(CCC1=O)C
• Isomeric SMILES: CC1=C2CCCC[C@]2(CCC1=O)C