3,6-Dimethylchroman-4-one

Base Information

• Chemical Name: 3,6-Dimethylchroman-4-one
• CAS No.: 57646-07-8
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID30509596

Synonyms:57646-07-8;3,6-dimethylchroman-4-one;3,6-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one;SCHEMBL13417489;DTXSID30509596;3,6-Dimethyl-2,3-dihydro-4H-1-benzopyran-4-one

Chemical Property of 3,6-Dimethylchroman-4-one

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC2=C(C1=O)C=C(C=C2)C

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