Cas no 22961-79-1 (9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-)
22961-79-1 structure
Product Name:9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-
CAS No:22961-79-1
MF:C17H16O7
MW:332.304745674133
CID:1415347
PubChem ID:5318357
Update Time:2025-04-20
9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-
- 1-hydroxy-2,3,4,5-tetramethoxyxanthen-9-one
- ZHOIDKZROFMQSS-UHFFFAOYSA-N
- DTXSID50415741
- 1-Hydroxy-2,3,4,5-tetramethoxyxanthone
- 1-HYDROXY-2,3,4,5-TETRAMETHOXY-9H-XANTHEN-9-ONE
- Xanthone, 1-hydroxy-2,3,4,5-tetramethoxy-
- SCHEMBL18240048
- 22961-79-1
- Dulcisxanthone C
-
- Inchi: 1S/C17H16O7/c1-20-9-7-5-6-8-11(18)10-12(19)15(21-2)17(23-4)16(22-3)14(10)24-13(8)9/h5-7,19H,1-4H3
- InChI Key: ZHOIDKZROFMQSS-UHFFFAOYSA-N
- SMILES: O1C2C(=CC=CC=2C(C2C(=C(C(=C(C1=2)OC)OC)OC)O)=O)OC
Computed Properties
- Exact Mass: 332.08958
- Monoisotopic Mass: 332.08960285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 456
- 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: 3
- Topological Polar Surface Area: 83.4?2
Experimental Properties
- PSA: 83.45
9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
22961-79-1 (9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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