Cas no 21259-42-7 (methyl 2-oxo-2H-chromene-3-carboxylate)

methyl 2-oxo-2H-chromene-3-carboxylate structure
21259-42-7 structure
Product Name:methyl 2-oxo-2H-chromene-3-carboxylate
CAS No:21259-42-7
MF:C11H8O4
MW:204.178823471069
CID:1399825
PubChem ID:30553
Update Time:2025-04-20

methyl 2-oxo-2H-chromene-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-oxo-2H-chromene-3-carboxylate
    • 2H-1-benzopyran-3-carboxylic acid, 2-oxo-, methyl ester
    • 2-Oxo-2H-chromene-3-carboxylic acid methyl ester
    • methyl 2-oxochromene-3-carboxylate
    • BRN 0176130
    • CCG-15545
    • SCHEMBL76086
    • SR-01000401137-1
    • 2-Oxo-2H-1-benzopyran-3-carboxylic acid methyl ester
    • IFLab1_000621
    • AI 3-36065
    • F0110-0035
    • IDI1_008840
    • CHEMBL1569462
    • SY302071
    • Methyl coumarin-3-carboxylate
    • EU-0001673
    • Methyl 2-oxo-2H-chromene-3-carboxylate #
    • HMS1413M05
    • SR-01000401137
    • SMR000122738
    • HMS2378G16
    • UPCMLD0ENAT5575665:001
    • MFCD00249953
    • AI3-36065
    • DTXSID30175513
    • STK749977
    • Z18746129
    • MLS000523665
    • AKOS000348717
    • NCGC00245182-01
    • JZAJARGAUOHFCU-UHFFFAOYSA-N
    • 21259-42-7
    • Inchi： 1S/C11H8O4/c1-14-10(12)8-6-7-4-2-3-5-9(7)15-11(8)13/h2-6H,1H3
    • InChI Key： JZAJARGAUOHFCU-UHFFFAOYSA-N
    • SMILES： O1C(C(C(=O)OC)=CC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 204.04224
  • Monoisotopic Mass: 204.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 319
  • 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
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

methyl 2-oxo-2H-chromene-3-carboxylate Related Literature

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