Cas no 116119-01-8 (7-Hydroxy-1,3-benzodioxole-5-carboxylic Acid Methyl Ester)

7-Hydroxy-1,3-benzodioxole-5-carboxylic Acid Methyl Ester structure
116119-01-8 structure
Product Name:7-Hydroxy-1,3-benzodioxole-5-carboxylic Acid Methyl Ester
CAS No:116119-01-8
MF:C9H8O5
MW:196.156823158264
MDL:MFCD22123663
CID:1066921
PubChem ID:11830339
Update Time:2025-04-20

7-Hydroxy-1,3-benzodioxole-5-carboxylic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Methyl 3,4-methylenedioxy-5-hydroxybenzoate
    • 7-Hydroxy-1,3-benzodioxole-5-carboxylic Acid Methyl Ester
    • Methyl 7-hydroxybenzo[d][1,3]dioxole-5-carboxylate
    • methyl 7-hydroxy-1,3-benzodioxole-5-carboxylate
    • 1,3-Benzodioxole-5-carboxylic acid, 7-hydroxy-, methyl ester
    • AMY7703
    • AKOS024262310
    • ZHGPEDRDUUKPCF-UHFFFAOYSA-N
    • 116119-01-8
    • methyl 3-hydroxy-4,5-(methylenedioxy)benzoate
    • DA-19784
    • methyl 7-hydroxy-2H-1,3-benzodioxole-5-carboxylate
    • F17578
    • DS-9121
    • SCHEMBL9512531
    • A893616
    • MDL: MFCD22123663
    • Inchi: 1S/C9H8O5/c1-12-9(11)5-2-6(10)8-7(3-5)13-4-14-8/h2-3,10H,4H2,1H3
    • InChI Key: ZHGPEDRDUUKPCF-UHFFFAOYSA-N
    • SMILES: O1COC2C(=CC(C(=O)OC)=CC1=2)O

Computed Properties

  • Exact Mass: 196.03717335g/mol
  • Monoisotopic Mass: 196.03717335g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 1.2
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 354.7±42.0 °C at 760 mmHg
  • Flash Point: 147.0±21.4 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

7-Hydroxy-1,3-benzodioxole-5-carboxylic Acid Methyl Ester Security Information

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