Cas no 39731-51-6 (1,3,6,8-tetrahydroxy-9H-xanthen-9-one)
39731-51-6 structure
Product Name:1,3,6,8-tetrahydroxy-9H-xanthen-9-one
CAS No:39731-51-6
MF:C13H8O6
MW:260.199024200439
CID:2045033
PubChem ID:5377571
Update Time:2025-04-21
1,3,6,8-tetrahydroxy-9H-xanthen-9-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3,6,8-tetrahydroxy-9H-xanthen-9-one
- 1,3,6,8-Tetrahydroxy-xanthen-9-on
- 1,3,6,8-tetrahydroxy-xanthen-9-one
- 1,3,6,8-tetrahydroxy-xanthone
- 1,3,6,8-Tetrahydroxyxanthon
- 1,3,6,8-Tetrahydroxyxanthone
- CHEMBL505898
- 39731-51-6
- 1,3,6,8-tetrahydroxy xanthone
- BDBM50611855
- SCHEMBL9838561
-
- Inchi： 1S/C13H8O6/c14-5-1-7(16)11-9(3-5)19-10-4-6(15)2-8(17)12(10)13(11)18/h1-4,14-17H
- InChI Key： CMBUJUMLPKDEOH-UHFFFAOYSA-N
- SMILES： OC1C=C2OC3C(C(C2=C(O)C=1)=O)=C(O)C=C(O)C=3
Computed Properties
- Exact Mass: 260.03208797Da
- Monoisotopic Mass: 260.03208797Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 340
- 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: 2.1
- Topological Polar Surface Area: 107?2
1,3,6,8-tetrahydroxy-9H-xanthen-9-one Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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