Bisabolol oxide A

Base Information

• Chemical Name: Bisabolol oxide A
• CAS No.: 11087-43-7
• Molecular Formula: C15H26 O2
• Molecular Weight: 476.73148
• European Community (EC) Number: 245-086-2
• UNII: 16AE65F94Y
• DSSTox Substance ID: DTXSID20891412
• Metabolomics Workbench ID: 48098
• Nikkaji Number: J16.290F
• RXCUI: 2043281
• Wikidata: Q27149760
• Mol file: 11087-43-7.mol

Synonyms:2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-tetrahydro-2H-pyran-3-ol;bisabololoxide A;BSBO cpd

Chemical Property of Bisabolol oxide A

Chemical Property:

• PSA: 58.92000
• LogP: 6.88280
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(CC1)C2(CCC(C(O2)(C)C)O)C
• Isomeric SMILES: CC1=CC[C@H](CC1)[C@@]2(CC[C@@H](C(O2)(C)C)O)C

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