(4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

Base Information

• Chemical Name: (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
• CAS No.: 35774-01-7
• Molecular Formula: C12H14O2
• Molecular Weight: 190.23800
• DSSTox Substance ID: DTXSID60426282
• Nikkaji Number: J2.751.705F
• Wikidata: Q82239224
• Mol file: 35774-01-7.mol

Synonyms:35774-01-7;CTK1B6700;DTXSID60426282;(4aS)-6,7-Dimethyl-1,4,4aalpha,5,8,8aalpha-hexahydronaphthalene-1,4-dione

Chemical Property of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

Chemical Property:

• PSA: 34.14000
• LogP: 2.05700
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CC2C(C1)C(=O)C=CC2=O)C
• Isomeric SMILES: CC1=C(C[C@H]2[C@@H](C1)C(=O)C=CC2=O)C