Cas no 144393-70-4 (1-Methoxybutan-1-ol)
1-Methoxybutan-1-ol structure
Product Name:1-Methoxybutan-1-ol
CAS No:144393-70-4
MF:C5H12O2
MW:104.147582054138
CID:2777442
PubChem ID:21201039
Update Time:2025-04-21
1-Methoxybutan-1-ol Chemical and Physical Properties
Names and Identifiers
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- 144393-70-4
- DTXCID90562107
- DTXSID00611352
- SCHEMBL23985
- APFRUMUZEFOCFO-UHFFFAOYSA-N
- 1-Methoxybutan-1-ol
-
- Inchi： 1S/C5H12O2/c1-3-4-5(6)7-2/h5-6H,3-4H2,1-2H3
- InChI Key： APFRUMUZEFOCFO-UHFFFAOYSA-N
- SMILES： O(C)C(CCC)O
Computed Properties
- Exact Mass: 104.083729621g/mol
- Monoisotopic Mass: 104.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 37.1
- 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: 0.8
- Topological Polar Surface Area: 29.5?2
1-Methoxybutan-1-ol Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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