Cas no 221905-18-6 (3-Benzofuranmethanol,6-hydroxy-)
221905-18-6 structure
Product Name:3-Benzofuranmethanol,6-hydroxy-
CAS No:221905-18-6
MF:C9H8O3
MW:164.158022880554
CID:244313
PubChem ID:45122664
Update Time:2025-04-19
3-Benzofuranmethanol,6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzofuranmethanol,6-hydroxy-
- 3-(hydroxymethyl)-1-benzofuran-6-ol
- 221905-18-6
- SCHEMBL742927
- SUQCCGWWVBDHRN-UHFFFAOYSA-N
- 3-(Hydroxymethyl)benzofuran-6-ol
- 3-Hydroxymethyl-benzofuran-6-ol
-
- Inchi： 1S/C9H8O3/c10-4-6-5-12-9-3-7(11)1-2-8(6)9/h1-3,5,10-11H,4H2
- InChI Key： SUQCCGWWVBDHRN-UHFFFAOYSA-N
- SMILES： O1C=C(CO)C2C=CC(=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
3-Benzofuranmethanol,6-hydroxy- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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