Benzoic acid, 2-((7-hydroxy-3,7-dimethyloctylidene)amino)-, methyl ester, (S)-

Base Information

• Chemical Name: Benzoic acid, 2-((7-hydroxy-3,7-dimethyloctylidene)amino)-, methyl ester, (S)-
• CAS No.: 114502-66-8
• Molecular Formula: C18H27NO3
• UNII: AB679B36WN
• Mol file: 114502-66-8.mol

Synonyms:Aurantiol, (S)-;AB679B36WN;UNII-AB679B36WN;Benzoic acid, 2-((7-hydroxy-3,7-dimethyloctylidene)amino)-, methyl ester, (S)-;114502-66-8

Chemical Property of Benzoic acid, 2-((7-hydroxy-3,7-dimethyloctylidene)amino)-, methyl ester, (S)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 305.19909372
• Heavy Atom Count: 22
• Complexity: 365

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCCC(C)(C)O)CC=NC1=CC=CC=C1C(=O)OC
• Isomeric SMILES: C[C@@H](CCCC(C)(C)O)CC=NC1=CC=CC=C1C(=O)OC

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