Cas no 40357-43-5 (2',3'-Dihydro-2',2'-dimethyl-7-hydroxy-3,6'-bi-(4H-1-benzopyran)-on-4)
40357-43-5 structure
Product Name:2',3'-Dihydro-2',2'-dimethyl-7-hydroxy-3,6'-bi-(4H-1-benzopyran)-on-4
CAS No:40357-43-5
MF:C20H18O4
MW:322.354526042938
CID:2064386
PubChem ID:101618101
Update Time:2025-04-21
2',3'-Dihydro-2',2'-dimethyl-7-hydroxy-3,6'-bi-(4H-1-benzopyran)-on-4 Chemical and Physical Properties
Names and Identifiers
-
- 2',3'-Dihydro-2',2'-dimethyl-7-hydroxy-3,6'-bi-(4H-1-benzopyran)-on-4
- 7-hydroxy-2',2'-dimethyl-3',4'-dihydro-2'H-[3,6']bichromenyl-4-one
- isoneobavaisoflavone
- 2',3'-Dihydro-7-hydroxy-2',2'-dimethyl-[3,6'-bi-4H-1-benzopyran]-4-one
- 3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one
- 2',3'-DIHYDRO-7-HYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE
- 3-(2,2-Dimethylchroman-6-yl)-7-hydroxy-4H-chromen-4-one
- 40357-43-5
- FS-7593
- Q63396064
- DTXSID001346049
- 3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-7-hydroxychromen-4-one
-
- Inchi： 1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-6,9-11,21H,7-8H2,1-2H3
- InChI Key： XYQGRDVFZGPOQG-UHFFFAOYSA-N
- SMILES： O1C2C=CC(C3=COC4C=C(C=CC=4C3=O)O)=CC=2CCC1(C)C
Computed Properties
- Exact Mass: 322.12050905g/mol
- Monoisotopic Mass: 322.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 538
- 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: 3.8
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Color/Form: Yellow powder
- Density: 1.269±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (3.5E-3 g/L) (25 oC),
2',3'-Dihydro-2',2'-dimethyl-7-hydroxy-3,6'-bi-(4H-1-benzopyran)-on-4 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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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