Cas no 55004-75-6 (2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethyl-)
55004-75-6 structure
Product Name:2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethyl-
CAS No:55004-75-6
MF:C11H10O3
MW:190.195303440094
CID:353093
PubChem ID:54717111
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethyl-
- 4-hydroxy-7,8-dimethylchromen-2-one
- 4-HYDROXY-7,8-DIMETHYLCOUMARIN
- 2H-1-Benzopyran-2-one,4-hydroxy-7,8-dimethyl
- 4-hydroxy-7,8-dimethyl-2H-chromen-2-one
- 4-hydroxy-7,8-dimethyl-chromen-2-one
- 7,8-dimethyl-4-hydroxy-2H-1-benzopyran-2-one
- 7,8-dimethyl-4-hydroxycoumarin
- FT-0712632
- SCHEMBL5346589
- 4-Hydroxy-7,8-dimethyl-2H-1-benzopyran-2-one
- DZGDYAJCQWPAKE-UHFFFAOYSA-N
- DTXSID80716218
- 55004-75-6
-
- Inchi： 1S/C11H10O3/c1-6-3-4-8-9(12)5-10(13)14-11(8)7(6)2/h3-5,12H,1-2H3
- InChI Key： DZGDYAJCQWPAKE-UHFFFAOYSA-N
- SMILES： O1C(C=C(C2=CC=C(C)C(C)=C12)O)=O
Computed Properties
- Exact Mass: 190.06300
- Monoisotopic Mass: 190.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 282
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 2
Experimental Properties
- PSA: 50.44000
- LogP: 2.11540
2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
55004-75-6 (2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethyl-) Related Products
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