Cas no 1071847-72-7 ((2S)-4-(2-furanyl)-1,2-Butanediol)
1071847-72-7 structure
Product Name:(2S)-4-(2-furanyl)-1,2-Butanediol
CAS No:1071847-72-7
MF:C8H12O3
MW:156.179082870483
CID:1098033
PubChem ID:131227835
Update Time:2025-04-20
(2S)-4-(2-furanyl)-1,2-Butanediol Chemical and Physical Properties
Names and Identifiers
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- (2S)-4-(2-furanyl)-1,2-Butanediol
- 1071847-72-7
- DTXSID101300533
-
- Inchi： 1S/C8H12O3/c9-6-7(10)3-4-8-2-1-5-11-8/h1-2,5,7,9-10H,3-4,6H2/t7-/m0/s1
- InChI Key： PSUHJCWXTKCOBK-ZETCQYMHSA-N
- SMILES： O[C@H](CO)CCC1=CC=CO1
Computed Properties
- Exact Mass: 156.078644241g/mol
- Monoisotopic Mass: 156.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 53.6?2
(2S)-4-(2-furanyl)-1,2-Butanediol Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
1071847-72-7 ((2S)-4-(2-furanyl)-1,2-Butanediol) Related Products
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