Cas no 102914-73-8 (9H-Xanthene-3,6-diol)
9H-Xanthene-3,6-diol structure
Product Name:9H-Xanthene-3,6-diol
CAS No:102914-73-8
MF:C13H10O3
MW:214.216703891754
CID:125348
PubChem ID:9990813
Update Time:2025-04-18
9H-Xanthene-3,6-diol Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthene-3,6-diol
- 3,6-DIHYDROXYXANTHANE
- DTXSID00433778
- 102914-73-8
- PDYQQADWTNPTRK-UHFFFAOYSA-N
- SCHEMBL3274879
-
- Inchi： 1S/C13H10O3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-4,6-7,14-15H,5H2
- InChI Key： PDYQQADWTNPTRK-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=CC=2CC2C=CC(=CC1=2)O)O
Computed Properties
- Exact Mass: 214.06300
- Monoisotopic Mass: 214.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 232
- 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: 2.7
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69000
- LogP: 2.79430
9H-Xanthene-3,6-diol Related Literature
-
Islam M. Abdellah,Towhid H. Chowdhury,Jae-Joon Lee,Ashraful Islam,Mohamad K. Nazeeruddin,Michael Gr?etzel,Ahmed El-Shafei Sustainable Energy Fuels 2021 5 199
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