Cas no 5042-08-0 (9H-Xanthen-9-one, 1,6-dihydroxy-)
5042-08-0 structure
Product Name:9H-Xanthen-9-one, 1,6-dihydroxy-
CAS No:5042-08-0
MF:C13H8O4
MW:228.200223922729
CID:364922
PubChem ID:5493674
Update Time:2025-04-19
9H-Xanthen-9-one, 1,6-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 1,6-dihydroxy-
- 1,6-dihydroxyxanthen-9-one
- 1,6-Dihydroxy-9H-xanthen-9-one
- 1,6-Dihydroxyxanthone
- Isoeuxanthone
- SCHEMBL2316559
- CHEMBL459695
- 5042-08-0
- IUSXGFFUHTXSRD-UHFFFAOYSA-N
- DTXSID60420523
- ConMedNP.2060
-
- Inchi： 1S/C13H8O4/c14-7-4-5-8-11(6-7)17-10-3-1-2-9(15)12(10)13(8)16/h1-6,14-15H
- InChI Key： IUSXGFFUHTXSRD-UHFFFAOYSA-N
- SMILES： O1C2C=CC=C(C=2C(C2C=CC(=CC1=2)O)=O)O
Computed Properties
- Exact Mass: 228.04224
- Monoisotopic Mass: 228.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 317
- 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: 2.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- Density: 1.516
- Boiling Point: 464.8°C at 760 mmHg
- Flash Point: 187.8°C
- Refractive Index: 1.717
- PSA: 66.76
9H-Xanthen-9-one, 1,6-dihydroxy- Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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