Cas no 156098-99-6 (5,6-Benzofurandiol, 2-(3,5-dihydroxyphenyl)-)
156098-99-6 structure
Product Name:5,6-Benzofurandiol, 2-(3,5-dihydroxyphenyl)-
5,6-Benzofurandiol, 2-(3,5-dihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5,6-Benzofurandiol,2-(3,5-dihydroxyphenyl)-
- 2-(3,5-Dihydroxyphenyl)-5,6-dihydroxybenzofuran
- BDBM50083072
- 2-(3,5-Dihydroxyphenyl)-5,6-benzofurandiol, 9CI
- 2-(3',5'-dihydroxyphenyl)-5,6-dihydroxybenzofuran
- CID 90703276
- 5,6-Benzofurandiol, 2-(3,5-dihydroxyphenyl)-
- 2-(3,5-Dihydroxyphenyl)-5,6-benzofurandiol
- CHEMBL3422850
- DTXSID301268597
- Alfafuran
- 156098-99-6
-
- Inchi： 1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H
- InChI Key： FDARKUSEVNCTHK-UHFFFAOYSA-N
- SMILES： O1C2C=C(C(=CC=2C=C1C1C=C(C=C(C=1)O)O)O)O
Computed Properties
- Exact Mass: 258.05282342g/mol
- Monoisotopic Mass: 258.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 313
- 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: 94.1
- XLogP3: 2.6
Experimental Properties
- Density: 1.561±0.06 g/cm3(Predicted)
- Boiling Point: 415.2±35.0 °C(Predicted)
- pka: 8.88±0.40(Predicted)
5,6-Benzofurandiol, 2-(3,5-dihydroxyphenyl)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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