Cas no 2963-87-3 (1,2-Acenaphthylenediol,1,2-dihydro-, (1R,2R)-rel-)

1,2-Acenaphthylenediol,1,2-dihydro-, (1R,2R)-rel- structure
2963-87-3 structure
Product Name:1,2-Acenaphthylenediol,1,2-dihydro-, (1R,2R)-rel-
CAS No:2963-87-3
MF:C12H10O2
MW:186.206603527069
CID:272043
PubChem ID:5460368
Update Time:2025-04-19

1,2-Acenaphthylenediol,1,2-dihydro-, (1R,2R)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Acenaphthylenediol,1,2-dihydro-, (1R,2R)-rel-
    • trans-acenaphthene-1,2-diol
    • (1R,2R)-1,2-Dihydroacenaphthylene-1,2-diol
    • 1,2-acenaphthylenediol, 1,2-dihydro-, (1R,2R)-
    • 1,2-Acenaphthylenediol, 1,2-dihydro-, trans-
    • AE-562/12222219
    • trans-1,2-dihydroxyacenaphthene
    • CHEBI:28395
    • AKOS006278973
    • Q27103673
    • (+-)-trans-acenaphthene-1,2-diol
    • 1,2-dihydro-1,2-acenaphthylenediol
    • rel-(1R,2R)-1,2-dihydroacenaphthylene-1,2-diol
    • DTXSID30183810
    • SCHEMBL638575
    • 2963-87-3
    • trans-1,2-dihydro-1,2-acenaphthylenediol
    • trans-1,2-Acenaphthylene glycol
    • Inchi: 1S/C12H10O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-14H/t11-,12-/m1/s1
    • InChI Key: ARGFAPRYULRPAN-VXGBXAGGSA-N
    • SMILES: O[C@@H]1C2=CC=CC3=CC=CC(=C23)[C@H]1O

Computed Properties

  • Exact Mass: 186.0681
  • Monoisotopic Mass: 186.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 206
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5A^2
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.444
  • Boiling Point: 407.7°C at 760 mmHg
  • Flash Point: 208°C
  • Refractive Index: 1.795
  • PSA: 40.46
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