5-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one

Base Information

• Chemical Name: 5-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
• CAS No.: 117968-69-1
• Molecular Formula: C₁₈H₂₉NO₃
• Molecular Weight: 307.433
• NSC Number: 622635
• DSSTox Substance ID: DTXSID301191245
• ChEMBL ID: CHEMBL1999730

Synonyms:NSC622635;5-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one;CHEMBL1999730;5-hydroxy-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one;DTXSID301191245;NSC-622635;NCI60_006676;Benz[d]isoxazole-4-one, 4,5,6,7-tetrahydro-3-undecyl-;6,7-Dihydro-5-hydroxy-3-undecyl-1,2-benzisoxazol-4(5H)-one;5-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one #;117968-69-1

Chemical Property of 5-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 307.21474379
• Heavy Atom Count: 22
• Complexity: 334

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCC1=NOC2=C1C(=O)C(CC2)O

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