Cas no 39731-32-3 (1,8-dihydroxy-3-methoxy-9H-xanthen-9-one)
39731-32-3 structure
Product Name:1,8-dihydroxy-3-methoxy-9H-xanthen-9-one
CAS No:39731-32-3
MF:C14H10O5
MW:258.226204395294
CID:2030995
PubChem ID:5479780
Update Time:2025-04-21
1,8-dihydroxy-3-methoxy-9H-xanthen-9-one Chemical and Physical Properties
Names and Identifiers
-
- 1,8-dihydroxy-3-methoxy-9H-xanthen-9-one
- 1,8-Dihydroxy-3-methoxy-xanthen-9-on
- 1,8-dihydroxy-3-methoxy-xanthen-9-one
- 1,8-dihydroxy-3-methoxyxanthone
- 1,8-dihydroxy-6-methoxyxanthone
- 3-Me ether-1,3,8-Trihydroxyxanthone
- 1,8-dihydroxy-3-methoxyxanthen-9-one
- DTXSID40420485
- 3-Methoxy-1,8-dihyroxyxanthen-9-one
- 9H-Xanthen-9-one, 1,8-dihydroxy-3-methoxy-
- 39731-32-3
- DTXCID30371331
-
- Inchi： 1S/C14H10O5/c1-18-7-5-9(16)13-11(6-7)19-10-4-2-3-8(15)12(10)14(13)17/h2-6,15-16H,1H3
- InChI Key： OWROAXRUPFOHOO-UHFFFAOYSA-N
- SMILES： O1C2C=CC=C(C=2C(C2C(=CC(=CC1=2)OC)O)=O)O
Computed Properties
- Exact Mass: 258.05282342g/mol
- Monoisotopic Mass: 258.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 358
- 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: 76?2
1,8-dihydroxy-3-methoxy-9H-xanthen-9-one Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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