Cas no 57529-10-9 (2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl-)
57529-10-9 structure
Product Name:2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl-
CAS No:57529-10-9
MF:C11H10O3
MW:190.195303440094
CID:345022
PubChem ID:54716737
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl-
- 4-hydroxy-5,7-dimethylchromen-2-one
- 57529-10-9
- 4-Hydroxy-5,7-dimethyl-2H-1-benzopyran-2-one
- DTXSID40716214
- MBINTQJWQBDYJH-UHFFFAOYSA-N
- SCHEMBL5337247
- 5,7-dimethyl-4-hydroxy-coumarin
-
- Inchi: 1S/C11H10O3/c1-6-3-7(2)11-8(12)5-10(13)14-9(11)4-6/h3-5,12H,1-2H3
- InChI Key: MBINTQJWQBDYJH-UHFFFAOYSA-N
- SMILES: O1C(C=C(C2=C1C=C(C)C=C2C)O)=O
Computed Properties
- Exact Mass: 190.063
- Monoisotopic Mass: 190.062994177g/mol
- 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
- XLogP3: 2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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
57529-10-9 (2H-1-Benzopyran-2-one, 4-hydroxy-5,7-dimethyl-) Related Products
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