Cas no 132452-93-8 (4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-, cis-)

4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-, cis- structure
132452-93-8 structure
Product Name:4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-, cis-
CAS No:132452-93-8
MF:C15H18O2
MW:230.302224636078
CID:1230522
Update Time:2024-08-05

4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-, cis- Chemical and Physical Properties

Names and Identifiers

    • 4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-, cis-
    • 4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-, (4aR,10aS)-rel-
    • Inchi: 1S/C15H18O2/c16-14(17)15-10-4-3-6-12(15)9-8-11-5-1-2-7-13(11)15/h1-2,5,7,12H,3-4,6,8-10H2,(H,16,17)/t12-,15+/m0/s1
    • InChI Key: HPCLHJWDQZUSAQ-SWLSCSKDSA-N
    • SMILES: C1[C@]2([H])[C@@](C(O)=O)(C3=C(CC2)C=CC=C3)CCC1

Computed Properties

  • Exact Mass: 230.13074

Experimental Properties

  • Density: 1.179±0.06 g/cm3(Predicted)
  • Boiling Point: 389.1±21.0 °C(Predicted)
  • PSA: 37.3
  • pka: 4.25±0.20(Predicted)

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