Cas no 157101-77-4 (7-Hydroxy-4-(methoxymethyl)coumarin)

7-Hydroxy-4-(methoxymethyl)coumarin structure
157101-77-4 structure
Product Name:7-Hydroxy-4-(methoxymethyl)coumarin
CAS No:157101-77-4
MF:C11H10O4
MW:206.194703578949
CID:91969
PubChem ID:5393168
Update Time:2025-04-18

7-Hydroxy-4-(methoxymethyl)coumarin Chemical and Physical Properties

Names and Identifiers

    • 7-Hydroxy-4-(methoxymethyl)coumarin
    • 7-Hydroxy-4-methoxymethylcoumarin
    • 7-hydroxy-4-(methoxymethyl)-2H-chromen-2-one
    • AC1NU2CP
    • ACMC-20alx1
    • CHEMBL592524
    • Oprea1_662014
    • BUTTPARK 20\02-69
    • 7-HYDROXY-4-METHOXYMETHYL-CHROMEN-2-ONE
    • DTXSID90419829
    • 7-hydroxy-4-methoxymethylcoumarin, AldrichCPR
    • 2H-1-Benzopyran-2-one, 7-hydroxy-4-(methoxymethyl)-
    • FT-0676133
    • BDBM50305311
    • AB02205
    • 7-hydroxy-4-(methoxymethyl)chromen-2-one
    • SCHEMBL5138108
    • 157101-77-4
    • PRVOZGKAZHXKMM-UHFFFAOYSA-N
    • MFCD00052607
    • CS-0318485
    • FS-5354
    • AKOS015856557
    • FT-0659441
    • DB-073649
    • STL512898
    • CHEBI:231290
    • 7-Hydroxy-4-methoxy methylcoumarin (Daphnetin 7-methyl ether)
    • MDL: MFCD00052607
    • Inchi: 1S/C11H10O4/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5,12H,6H2,1H3
    • InChI Key: PRVOZGKAZHXKMM-UHFFFAOYSA-N
    • SMILES: O1C(C=C(COC)C2C=CC(=CC1=2)O)=O

Computed Properties

  • Exact Mass: 206.0579
  • Monoisotopic Mass: 206.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 284
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: nothing
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.3±0.1 g/cm3
  • Melting Point: 126-128°C
  • Boiling Point: 392.8±42.0 °C at 760 mmHg
  • Flash Point: 158.8±21.4 °C
  • Refractive Index: 1.584
  • PSA: 55.76
  • LogP: 1.64500
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

7-Hydroxy-4-(methoxymethyl)coumarin Security Information

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