Cas no 478159-51-2 (2H-1-BENZOPYRAN-2-ONE, 6-HYDROXY-3,8-DIMETHYL-5-(1-METHYLETHYL)-)

2H-1-BENZOPYRAN-2-ONE, 6-HYDROXY-3,8-DIMETHYL-5-(1-METHYLETHYL)- structure
478159-51-2 structure
Product Name:2H-1-BENZOPYRAN-2-ONE, 6-HYDROXY-3,8-DIMETHYL-5-(1-METHYLETHYL)-
CAS No:478159-51-2
MF:C14H16O3
MW:232.275044441223
CID:3282675
Update Time:2025-04-21

2H-1-BENZOPYRAN-2-ONE, 6-HYDROXY-3,8-DIMETHYL-5-(1-METHYLETHYL)- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-BENZOPYRAN-2-ONE, 6-HYDROXY-3,8-DIMETHYL-5-(1-METHYLETHYL)-
    • Inchi: 1S/C14H16O3/c1-7(2)12-10-5-9(4)14(16)17-13(10)8(3)6-11(12)15/h5-7,15H,1-4H3
    • InChI Key: VAOZKYYIOZFKKZ-UHFFFAOYSA-N
    • SMILES: CC(C1C2=C(OC(C(=C2)C)=O)C(C)=CC=1O)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • XLogP3: 2.241
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