Cas no 61948-06-9 (5-Benzofuranol, 2,3-dihydro-6-methyl-)
61948-06-9 structure
Product Name:5-Benzofuranol, 2,3-dihydro-6-methyl-
CAS No:61948-06-9
MF:C9H10O2
MW:150.174502849579
CID:462622
PubChem ID:11051835
Update Time:2025-04-19
5-Benzofuranol, 2,3-dihydro-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzofuranol, 2,3-dihydro-6-methyl-
- 6-methyl-2,3-dihydro-1-benzofuran-5-ol
- SCHEMBL5536555
- 61948-06-9
- DTXSID00453335
- 6-methyl-2,3-dihydrobenzofuran-5-ol
-
- Inchi: 1S/C9H10O2/c1-6-4-9-7(2-3-11-9)5-8(6)10/h4-5,10H,2-3H2,1H3
- InChI Key: MKBDCDKRYYXCRS-UHFFFAOYSA-N
- SMILES: O1CCC2C=C(C(C)=CC1=2)O
Computed Properties
- Exact Mass: 150.0681
- Monoisotopic Mass: 150.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 147
- 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: 1.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
5-Benzofuranol, 2,3-dihydro-6-methyl- Related Literature
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
-
Danlei Xiang Nanoscale, 2021,13, 5497-5506
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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