Cas no 91679-29-7 (9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-)
91679-29-7 structure
Product Name:9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-
CAS No:91679-29-7
MF:C16H14O7
MW:318.278165340424
CID:1970656
PubChem ID:10947079
Update Time:2025-04-21
9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-
- 1,3-dihydroxy-2,4,7-trimethoxyxanthen-9-one
- 91679-29-7
- DTXSID60449395
-
- Inchi: 1S/C16H14O7/c1-20-7-4-5-9-8(6-7)11(17)10-12(18)15(21-2)13(19)16(22-3)14(10)23-9/h4-6,18-19H,1-3H3
- InChI Key: DDZOJPRABMAJAZ-UHFFFAOYSA-N
- SMILES: O1C2C=CC(=CC=2C(C2C(=C(C(=C(C1=2)OC)O)OC)O)=O)OC
Computed Properties
- Exact Mass: 318.07395278g/mol
- Monoisotopic Mass: 318.07395278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 442
- 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: 94.4?2
9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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