Cas no 139016-20-9 (1,2-Ethanediol, 1-(4-methylphenyl)-, (S)-)

1,2-Ethanediol, 1-(4-methylphenyl)-, (S)- structure
139016-20-9 structure
Product Name:1,2-Ethanediol, 1-(4-methylphenyl)-, (S)-
CAS No:139016-20-9
MF:C9H12O2
MW:152.190382957458
CID:1268483
PubChem ID:15933070
Update Time:2025-04-20

1,2-Ethanediol, 1-(4-methylphenyl)-, (S)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol, 1-(4-methylphenyl)-, (S)-
    • UL8SMN6Y5X
    • 4-Methylphenylethylene glycol, (S)-
    • 4-Methylphenylethylene glycol, (+)-
    • (1S)-1-(4-Methylphenyl)-1,2-ethanediol
    • 1,2-Ethanediol, 1-(4-methylphenyl)-, (1S)-
    • (s)-1-(4-methylphenyl)-1,2-ethanediol
    • 139016-20-9
    • UNII-UL8SMN6Y5X
    • SCHEMBL6493189
    • Inchi： 1S/C9H12O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9-11H,6H2,1H3/t9-/m1/s1
    • InChI Key： LRVUCXFUHLHEDF-SECBINFHSA-N
    • SMILES： O[C@H](CO)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 152.08376
  • Monoisotopic Mass: 152.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46

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