Cas no 81920-95-8 (2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-)

2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]- structure
81920-95-8 structure
Product Name:2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-
CAS No:81920-95-8
MF:C18H20O2
MW:268.350205421448
CID:708226
PubChem ID:53427006
Update Time:2025-04-19

2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-
    • (2E)-3-(5-isopropyl-3,8-dimethylazulen-1-yl)acrylic acid
    • 3-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)prop-2-enoic acid
    • 81920-95-8
    • DTXSID20699415
    • 3-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]prop-2-enoic acid
    • Inchi: 1S/C18H20O2/c1-11(2)14-6-5-12(3)18-15(7-8-17(19)20)9-13(4)16(18)10-14/h5-11H,1-4H3,(H,19,20)
    • InChI Key: MYXGGCXNUTVSIR-UHFFFAOYSA-N
    • SMILES: OC(C=CC1=CC(C)=C2C=C(C=CC(C)=C21)C(C)C)=O

Computed Properties

  • Exact Mass: 268.146
  • Monoisotopic Mass: 268.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 372
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 4.7
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