Cas no 287118-44-9 (2,3-Methylenedioxycinnamic Acid)

2,3-Methylenedioxycinnamic Acid structure
287118-44-9 structure
Product Name:2,3-Methylenedioxycinnamic Acid
CAS No:287118-44-9
MF:C10H8O4
MW:192.168123245239
CID:1435784
PubChem ID:6113665
Update Time:2025-04-20

2,3-Methylenedioxycinnamic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-(1,3-benzodioxol-4-yl)-
    • SCHEMBL162076
    • 3-(Benzo[d][1,3]dioxol-4-yl)acrylic acid
    • 38489-70-2
    • (2E)-3-(2H-1,3-BENZODIOXOL-4-YL)PROP-2-ENOIC ACID
    • EN300-139877
    • SCHEMBL162075
    • AKOS006276641
    • EN300-833097
    • (2E)-3-(1,3-dioxaindan-4-yl)prop-2-enoic acid
    • CS-0345085
    • 3-(1,3-dioxaindan-4-yl)prop-2-enoic acid
    • 287118-44-9
    • 2,3-methylenedioxycinnamic acid
    • (2E)-3-(2H-1,3-Benzodioxol-4-yl)prop-2-enoic acid, E
    • (E)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
    • (e)-3-(benzo[d][1,3]dioxol-4-yl)acrylic acid
    • 2,3-Methylenedioxycinnamic Acid
    • Inchi: 1S/C10H8O4/c11-9(12)5-4-7-2-1-3-8-10(7)14-6-13-8/h1-5H,6H2,(H,11,12)/b5-4+
    • InChI Key: NWSIULATLGKZGF-SNAWJCMRSA-N
    • SMILES: O1COC2C=CC=C(/C=C/C(=O)O)C1=2

Computed Properties

  • Exact Mass: 192.04224
  • Monoisotopic Mass: 192.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 249
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76

2,3-Methylenedioxycinnamic Acid Pricemore >>

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