beta-Hydroxy-beta-methyl-4-phenoxybenzenepropanenitrile

Base Information

• Chemical Name: beta-Hydroxy-beta-methyl-4-phenoxybenzenepropanenitrile
• CAS No.: 59447-13-1
• Molecular Formula: C₁₆H₁₅NO₂
• Molecular Weight: 253.301
• DSSTox Substance ID: DTXSID601233367

Synonyms:SCHEMBL11509709;DTXSID601233367;beta-Hydroxy-beta-methyl-4-phenoxybenzenepropanenitrile;59447-13-1

Chemical Property of beta-Hydroxy-beta-methyl-4-phenoxybenzenepropanenitrile

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 253.110278721
• Heavy Atom Count: 19
• Complexity: 321

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MSDS Files:

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• Canonical SMILES: CC(CC#N)(C1=CC=C(C=C1)OC2=CC=CC=C2)O

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