Cas no 894774-00-6 (Carexane I)

Carexane I structure
Carexane I structure
Product Name:Carexane I
CAS No:894774-00-6
MF:C21H24O3
MW:324.413466453552
CID:6663916
Update Time:2024-03-02

Carexane I Chemical and Physical Properties

Names and Identifiers

    • (+)-Carexane I
    • Carexane I
    • Inchi: 1S/C21H24O3/c1-13(2)16-12-17-18(10-15(23-3)11-19(17)24-4)21(22)20(16)14-8-6-5-7-9-14/h5-11,16,20-22H,1,12H2,2-4H3
    • InChI Key: FOIFXGNTOSLLEH-UHFFFAOYSA-N
    • SMILES: COC1C=C2C(CC(C(=C)C)C(C3C=CC=CC=3)C2O)=C(OC)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • XLogP3: 3.013
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