(3S)-3-Phenylbutane-1,3-diol

Base Information

• Chemical Name: (3S)-3-Phenylbutane-1,3-diol
• CAS No.: 770-88-7
• Molecular Formula: C10H14O2
• Molecular Weight: 166.21700
• DSSTox Substance ID: DTXSID60478726
• Nikkaji Number: J63.469G
• Mol file: 770-88-7.mol

Synonyms:770-88-7;(3S)-3-Phenylbutane-1,3-diol;(S)-3-Phenyl-1,3-butanediol;DTXSID60478726

Chemical Property of (3S)-3-Phenylbutane-1,3-diol

Chemical Property:

• PSA: 40.46000
• LogP: 1.27650
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCO)(C1=CC=CC=C1)O
• Isomeric SMILES: C[C@](CCO)(C1=CC=CC=C1)O