Cas no 13141-35-0 (1H-2-Benzopyran-1-one, 3-propyl-)

1H-2-Benzopyran-1-one, 3-propyl- structure
13141-35-0 structure
Product Name:1H-2-Benzopyran-1-one, 3-propyl-
CAS No:13141-35-0
MF:C12H12O2
MW:188.222483634949
CID:1228310
PubChem ID:10888698
Update Time:2025-04-20

1H-2-Benzopyran-1-one, 3-propyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-2-Benzopyran-1-one, 3-propyl-
    • 3-propylisochromen-1-one
    • DTXSID70447206
    • 3-n-propylisocoumarin
    • 13141-35-0
    • 3-Propyl-1H-isochromen-1-one
    • 3-Propyl-isochromen-1-one
    • HS-4514
    • 3-Propyl-1H-2-benzopyran-1-one
    • Inchi: 1S/C12H12O2/c1-2-5-10-8-9-6-3-4-7-11(9)12(13)14-10/h3-4,6-8H,2,5H2,1H3
    • InChI Key: KCWFZBFXFHXIQP-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2C=C1CCC)=O

Computed Properties

  • Exact Mass: 188.083729621g/mol
  • Monoisotopic Mass: 188.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 255
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 26.3?2

1H-2-Benzopyran-1-one, 3-propyl- Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Silver iodide Solvents: Dimethylformamide
Reference
Efficient synthesis of naturally occurring ligustilide
Ogawa, Yoshimitsu; Maruno, Masao; Wakamatsu, Takeshi, Synlett, 1995, (8), 871-2

1H-2-Benzopyran-1-one, 3-propyl- Preparation Products

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