Cas no 88498-80-0 (9H-Xanthen-9-one, 4-bromo-3-hydroxy-)
88498-80-0 structure
Product Name:9H-Xanthen-9-one, 4-bromo-3-hydroxy-
CAS No:88498-80-0
MF:C13H7BrO3
MW:291.096883058548
CID:630566
PubChem ID:13162887
Update Time:2025-04-19
9H-Xanthen-9-one, 4-bromo-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 4-bromo-3-hydroxy-
- 4-bromo-3-hydroxyxanthen-9-one
- 4-BROMO-3-HYDROXY-9H-XANTHEN-9-ONE
- 88498-80-0
- DTXSID40523768
-
- Inchi： 1S/C13H7BrO3/c14-11-9(15)6-5-8-12(16)7-3-1-2-4-10(7)17-13(8)11/h1-6,15H
- InChI Key： CRCLRSLUHNDOKA-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC2C(C3C=CC=CC=3OC=21)=O)O
Computed Properties
- Exact Mass: 289.95786g/mol
- Monoisotopic Mass: 289.95786g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 320
- 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: 3.3
- Topological Polar Surface Area: 46.5?2
9H-Xanthen-9-one, 4-bromo-3-hydroxy- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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