Cas no 81017-27-8 (2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-)

2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo- structure
81017-27-8 structure
Product Name:2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-
CAS No:81017-27-8
MF:C12H10O6
MW:250.204204082489
CID:704662
PubChem ID:10264101
Update Time:2025-04-19

2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-
    • SCHEMBL11261487
    • 81017-27-8
    • 5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
    • NSC746848
    • NSC-746848
    • 5,7-dimethoxy-2-oxochromene-3-carboxylic acid
    • DTXSID40437578
    • 2H-1-Benzopyran-3-carboxylic acid,7-dimethoxy-2-oxo-
    • Inchi： 1S/C12H10O6/c1-16-6-3-9(17-2)7-5-8(11(13)14)12(15)18-10(7)4-6/h3-5H,1-2H3,(H,13,14)
    • InChI Key： ANBQYCWQBFWXTH-UHFFFAOYSA-N
    • SMILES： O1C(C(C(=O)O)=CC2C(=CC(=CC1=2)OC)OC)=O

Computed Properties

  • Exact Mass: 250.04773803g/mol
  • Monoisotopic Mass: 250.04773803g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 388
  • 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: 2.1
  • Topological Polar Surface Area: 82.1?2

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