Cas no 57266-85-0 (7,12-bis(hydroxymethyl)tetraphen-4-ol)

7,12-bis(hydroxymethyl)tetraphen-4-ol structure
57266-85-0 structure
Product Name:7,12-bis(hydroxymethyl)tetraphen-4-ol
CAS No:57266-85-0
MF:C20H16O3
MW:304.339245796204
CID:1603367
PubChem ID:151372
Update Time:2025-04-21

7,12-bis(hydroxymethyl)tetraphen-4-ol Chemical and Physical Properties

Names and Identifiers

    • 7,12-bis(hydroxymethyl)tetraphen-4-ol
    • 4-Hydroxybenz(a)anthracene-7,12-dimethanol
    • Benz(a)anthracene-7,12-dimethanol, 4-hydroxy-
    • 7,12-bis(hydroxymethyl)benzo[a]anthracen-4-ol
    • DTXSID30205889
    • 57266-85-0
    • Inchi: 1S/C20H16O3/c21-10-17-12-4-1-2-5-13(12)18(11-22)20-15-6-3-7-19(23)14(15)8-9-16(17)20/h1-9,21-23H,10-11H2
    • InChI Key: XUEMCTKHKJHLHB-UHFFFAOYSA-N
    • SMILES: OCC1C2C=CC=CC=2C(CO)=C2C=CC3C(=CC=CC=3C2=1)O

Computed Properties

  • Exact Mass: 304.10998
  • Monoisotopic Mass: 304.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 412
  • 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: 3.5
  • Topological Polar Surface Area: 60.7?2

Experimental Properties

  • Density: 1.397
  • Boiling Point: 647.6°C at 760 mmHg
  • Flash Point: 311.6°C
  • Refractive Index: 1.816
  • PSA: 60.69
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