1,5(3H,6H)-Isobenzofurandione, 7,7a-dihydro-4,7a-dimethyl-, (S)-

Base Information

• Chemical Name: 1,5(3H,6H)-Isobenzofurandione, 7,7a-dihydro-4,7a-dimethyl-, (S)-
• CAS No.: 161023-28-5
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• DSSTox Substance ID: DTXSID80452083
• Mol file: 161023-28-5.mol

Synonyms:1,5(3H,6H)-Isobenzofurandione, 7,7a-dihydro-4,7a-dimethyl-, (S)-;161023-28-5;DTXSID80452083

Chemical Property of 1,5(3H,6H)-Isobenzofurandione, 7,7a-dihydro-4,7a-dimethyl-, (S)-

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2COC(=O)C2(CCC1=O)C
• Isomeric SMILES: CC1=C2COC(=O)[C@]2(CCC1=O)C

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