(S)-2-(isochroMan-1-yl)ethyl Methanesulfonate

Base Information

• Chemical Name: (S)-2-(isochroMan-1-yl)ethyl Methanesulfonate
• CAS No.: 1026828-66-9
• Molecular Formula: C12H16O4S
• Molecular Weight: 256.31804
• DSSTox Substance ID: DTXSID601166196
• Mol file: 1026828-66-9.mol

Synonyms:1026828-66-9;(S)-2-(isochroMan-1-yl)ethyl Methanesulfonate;2-[(1S)-3,4-Dihydro-1H-isochromen-1-yl]ethyl methanesulfonate;DTXSID601166196;1H-2-Benzopyran-1-ethanol, 3,4-dihydro-, 1-methanesulfonate, (1S)-

Chemical Property of (S)-2-(isochroMan-1-yl)ethyl Methanesulfonate

Chemical Property:

• PSA: 60.98000
• LogP: 2.74750
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.07693016
• Heavy Atom Count: 17
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCC1C2=CC=CC=C2CCO1
• Isomeric SMILES: CS(=O)(=O)OCC[C@H]1C2=CC=CC=C2CCO1