Cas no 59559-21-6 (3-Chloro-4-methoxybutan-1-ol)
3-Chloro-4-methoxybutan-1-ol structure
Product Name:3-Chloro-4-methoxybutan-1-ol
CAS No:59559-21-6
MF:C5H11ClO2
MW:138.592641115189
CID:2834265
PubChem ID:12415070
Update Time:2025-04-21
3-Chloro-4-methoxybutan-1-ol Chemical and Physical Properties
Names and Identifiers
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- 3-Chloro-4-methoxybutan-1-ol
- DTXSID30497202
- 59559-21-6
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- Inchi： 1S/C5H11ClO2/c1-8-4-5(6)2-3-7/h5,7H,2-4H2,1H3
- InChI Key： YBVRRWYFHXRFLX-UHFFFAOYSA-N
- SMILES： ClC(COC)CCO
Computed Properties
- Exact Mass: 138.0447573Da
- Monoisotopic Mass: 138.0447573Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 49.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 29.5?2
3-Chloro-4-methoxybutan-1-ol Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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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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