Cas no 5707-55-1 (Dopal (>80%))

Dopal (>80%) structure
Dopal (>80%) structure
Product Name:Dopal (>80%)
CAS No:5707-55-1
MF:C8H8O3
MW:152.147322654724
CID:379916
PubChem ID:119219
Update Time:2025-04-19

Dopal (>80%) Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetaldehyde,3,4-dihydroxy-
    • 2-(3,4-dihydroxyphenyl)acetaldehyde
    • 3,4-dihydroxyphenylacetaldehyde
    • Dopal
    • (3,4-Dihydroxyphenyl)acetaldehyde
    • 3,4-dihydroxy-Benzeneacetaldehyde
    • 2-(3,4-dihydroxyphenyl)ethanal
    • SCHEMBL891837
    • 2-(3,4-BIS(OXIDANYL)PHENYL)ETHANAL
    • DTXSID10205680
    • Dopal (>80%)
    • Protocatechuatealdehyde
    • CHEBI:27978
    • A902925
    • Q4634065
    • SY237352
    • UNII-F2E9Q24TSL
    • AKOS022634762
    • 3,4-Dihydroxybenzeneacetaldehyde
    • Benzeneacetaldehyde, 3,4-dihydroxy-
    • MFCD19707262
    • EN300-732949
    • GTPL6632
    • F2E9Q24TSL
    • C04043
    • 5707-55-1
    • DB-226533
    • GLXC-03720
    • MDL: MFCD19707262
    • Inchi: 1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
    • InChI Key: IADQVXRMSNIUEL-UHFFFAOYSA-N
    • SMILES: OC1=C(C=CC(=C1)CC=O)O

Computed Properties

  • Exact Mass: 152.04734
  • Monoisotopic Mass: 152.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 135
  • 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: 0.4
  • Topological Polar Surface Area: 57.5A^2

Experimental Properties

  • Density: 1.306
  • Boiling Point: 350.9°Cat760mmHg
  • Flash Point: 180.2°C
  • Refractive Index: 1.598
  • PSA: 57.53
  • LogP: 1.005

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