5,6,6-Trimethyl-2-oxo-3,6-dihydro-2H-pyran-4-carbonyl chloride

Base Information

• Chemical Name: 5,6,6-Trimethyl-2-oxo-3,6-dihydro-2H-pyran-4-carbonyl chloride
• CAS No.: 40945-50-4
• Molecular Formula: C9H11 Cl O3
• Molecular Weight: 202.63484
• DSSTox Substance ID: DTXSID70514806
• Wikidata: Q82375344
• Mol file: 40945-50-4.mol

Synonyms:40945-50-4;DTXSID70514806;5,6,6-Trimethyl-2-oxo-3,6-dihydro-2H-pyran-4-carbonyl chloride;2H-Pyran-4-carbonyl chloride, 5,6-dihydro-2,2,3-trimethyl-6-oxo- (9CI);2H-Pyran-4-carbonyl chloride,5,6-dihydro-2,2,3-trimethyl-6-oxo-(9CI)

Chemical Property of 5,6,6-Trimethyl-2-oxo-3,6-dihydro-2H-pyran-4-carbonyl chloride

Chemical Property:

• PSA: 43.37000
• LogP: 1.79380
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 202.0396719
• Heavy Atom Count: 13
• Complexity: 302

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CC(=O)OC1(C)C)C(=O)Cl