Cas no 27393-39-1 (9H-Xanthene-1,3,6,8-tetrol)
9H-Xanthene-1,3,6,8-tetrol structure
Product Name:9H-Xanthene-1,3,6,8-tetrol
CAS No:27393-39-1
MF:C13H10O5
MW:246.215504169464
CID:286676
PubChem ID:336323
Update Time:2025-04-19
9H-Xanthene-1,3,6,8-tetrol Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthene-1,3,6,8-tetrol
- 1.3.6.8-Tetrahydroxyxanthen
- AC1L7JEA
- CTK1A7086
- NSC350081
- Xanthen-1,3,6,8-tetraol
- xanthene-1,3,6,8-tetraol
- 27393-39-1
- DTXSID40319749
- 9H-Xanthene-1,3,6,8-tetraol
- NSC-350081
-
- Inchi: 1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2
- InChI Key: WRWDLBILCDUPOS-UHFFFAOYSA-N
- SMILES: O1C2C=C(C=C(C=2CC2C(=CC(=CC1=2)O)O)O)O
Computed Properties
- Exact Mass: 246.0528
- Monoisotopic Mass: 246.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 282
- 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
- Topological Polar Surface Area: 90.2?2
Experimental Properties
- PSA: 90.15
- LogP: 2.20550
9H-Xanthene-1,3,6,8-tetrol Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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