Cas no 212374-03-3 (Benzonitrile, 3-[(1S)-1,2-dihydroxyethyl]-)

Benzonitrile, 3-[(1S)-1,2-dihydroxyethyl]- structure
212374-03-3 structure
Product Name:Benzonitrile, 3-[(1S)-1,2-dihydroxyethyl]-
CAS No:212374-03-3
MF:C9H9NO2
MW:163.173262357712
CID:1399288
PubChem ID:69795694
Update Time:2025-04-20

Benzonitrile, 3-[(1S)-1,2-dihydroxyethyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 3-[(1S)-1,2-dihydroxyethyl]-
    • 3-[(1S)-1,2-dihydroxyethyl]benzonitrile
    • 212374-03-3
    • DTXSID70741352
    • SCHEMBL6481575
    • Inchi： 1S/C9H9NO2/c10-5-7-2-1-3-8(4-7)9(12)6-11/h1-4,9,11-12H,6H2/t9-/m1/s1
    • InChI Key： DTBZIKXQEKAHFC-SECBINFHSA-N
    • SMILES： O[C@H](CO)C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 163.06337
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 184
  • 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: 0.1
  • Topological Polar Surface Area: 64.2?2

Experimental Properties

  • PSA: 64.25

Benzonitrile, 3-[(1S)-1,2-dihydroxyethyl]- Related Literature

212374-03-3 (Benzonitrile, 3-[(1S)-1,2-dihydroxyethyl]-) Related Products

Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.