Cas no 27303-26-0 (2-Butenoic acid,3-methyl-,1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester)

2-Butenoic acid,3-methyl-,1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester structure
27303-26-0 structure
Product Name:2-Butenoic acid,3-methyl-,1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester
CAS No:27303-26-0
MF:C19H20O5
MW:328.359106063843
CID:286696
PubChem ID:442135
Update Time:2025-04-19

2-Butenoic acid,3-methyl-,1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,3-methyl-,1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester
    • 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 3-methylbut-2-enoate
    • CHEBI:6450
    • C09272
    • DTXSID40331749
    • 27303-26-0
    • Q27107211
    • Libanorin
    • Inchi： 1S/C19H20O5/c1-11(2)9-17(21)24-19(3,4)15-10-13-14(22-15)7-5-12-6-8-16(20)23-18(12)13/h5-9,15H,10H2,1-4H3/t15-/m0/s1
    • InChI Key： YCXXSERNLQPDHF-HNNXBMFYSA-N
    • SMILES： O1C2C=CC3C=CC(=O)OC=3C=2C[C@H]1C(C)(C)OC(/C=C(\C)/C)=O

Computed Properties

  • Exact Mass: 328.1311
  • Monoisotopic Mass: 328.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 585
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Density: 1.232
  • Boiling Point: 482.3°C at 760 mmHg
  • Flash Point: 212.7°C
  • Refractive Index: 1.569
  • PSA: 61.83

2-Butenoic acid,3-methyl-,1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester Related Literature

Related Categories

27303-26-0 (2-Butenoic acid,3-methyl-,1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester) Related Products

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