Cas no 55092-48-3 (1,3-Dihydroxy-4-methyl-9H-xanthen-9-one)
55092-48-3 structure
Product Name:1,3-Dihydroxy-4-methyl-9H-xanthen-9-one
CAS No:55092-48-3
MF:C14H10O4
MW:242.226804256439
CID:943323
PubChem ID:5366975
Update Time:2025-04-19
1,3-Dihydroxy-4-methyl-9H-xanthen-9-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dihydroxy-4-methyl-9H-xanthen-9-one
- 1,3-dihydroxy-4-methylxanthen-9-one
- 1,3-Dihydroxy-4-methyl-xanthen-9-one
- LETPFDPOVPABGM-UHFFFAOYSA-N
- DTXSID10418632
- CHEMBL362107
- DB-291052
- 9H-Xanthen-9-one, 1,3-dihydroxy-4-methyl-
- 55092-48-3
- BDBM50155439
- 1,3-Dihydroxy-4-methyl-9H-xanthen-9-one #
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- Inchi： 1S/C14H10O4/c1-7-9(15)6-10(16)12-13(17)8-4-2-3-5-11(8)18-14(7)12/h2-6,15-16H,1H3
- InChI Key： LETPFDPOVPABGM-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C(C2C(=CC(=C(C)C1=2)O)O)=O
Computed Properties
- Exact Mass: 242.05790880g/mol
- Monoisotopic Mass: 242.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 343
- 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: 3.2
- Topological Polar Surface Area: 66.8?2
1,3-Dihydroxy-4-methyl-9H-xanthen-9-one Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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