Cas no 31964-91-7 (9H-Xanthen-9-one,2-(2-hydroxybenzoyl)-)

9H-Xanthen-9-one,2-(2-hydroxybenzoyl)- structure
31964-91-7 structure
Product Name:9H-Xanthen-9-one,2-(2-hydroxybenzoyl)-
CAS No:31964-91-7
MF:C20H12O4
MW:316.306885719299
CID:314715
PubChem ID:193146
Update Time:2025-04-19

9H-Xanthen-9-one,2-(2-hydroxybenzoyl)- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one,2-(2-hydroxybenzoyl)-
    • 2-(2-hydroxybenzoyl)xanthen-9-one
    • 2-(2-Hydroxybenzoyl)xanthone
    • DTXSID30185793
    • 9H-Xanthen-9-one, 2-(2-hydroxybenzoyl)-
    • 31964-91-7
    • Inchi: 1S/C20H12O4/c21-16-7-3-1-5-13(16)19(22)12-9-10-18-15(11-12)20(23)14-6-2-4-8-17(14)24-18/h1-11,21H
    • InChI Key: DXCYUBWSIUJNDA-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2C(C2C=C(C(C3C=CC=CC=3O)=O)C=CC1=2)=O

Computed Properties

  • Exact Mass: 316.07356
  • Monoisotopic Mass: 316.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 502
  • 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: 5.1
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.6
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