Cas no 188797-10-6 (5-hydroxy-3-Benzofuranmethanol)
188797-10-6 structure
Product Name:5-hydroxy-3-Benzofuranmethanol
CAS No:188797-10-6
MF:C9H8O3
MW:164.158022880554
CID:115407
PubChem ID:11423768
Update Time:2025-04-18
5-hydroxy-3-Benzofuranmethanol Chemical and Physical Properties
Names and Identifiers
-
- 5-hydroxy-3-Benzofuranmethanol
- 3-(hydroxymethyl)-1-benzofuran-5-ol
- 3-Benzofuranmethanol,5-hydroxy-
- 3-Benzofuranmethanol, 5-hydroxy-
- 3-(hydroxymethyl)benzofuran-5-ol
- 188797-10-6
-
- Inchi： 1S/C9H8O3/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5,10-11H,4H2
- InChI Key： OOUGRUFOKJNNBT-UHFFFAOYSA-N
- SMILES： O1C=C(CO)C2C=C(C=CC1=2)O
Computed Properties
- Exact Mass: 164.04734
- Monoisotopic Mass: 164.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 1.1
- Topological Polar Surface Area: 53.6?2
Experimental Properties
- PSA: 53.6
5-hydroxy-3-Benzofuranmethanol Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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