Cas no 55724-73-7 (Butanoic acid,4-butoxy-)
Butanoic acid,4-butoxy- structure
Product Name:Butanoic acid,4-butoxy-
Butanoic acid,4-butoxy- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-butoxy-
- 4-butoxybutanoic acid
- IZNAUZVEFQFMON-UHFFFAOYSA-N
- 4-butoxy-butanoic acid
- DTXSID90204272
- 4-Butoxybutanoic acid #
- 55724-73-7
- Butanoic acid, 4-butoxy-
- SCHEMBL379965
-
- Inchi： 1S/C8H16O3/c1-2-3-6-11-7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)
- InChI Key： IZNAUZVEFQFMON-UHFFFAOYSA-N
- SMILES： O(CCCC(=O)O)CCCC
Computed Properties
- Exact Mass: 160.10998
- Monoisotopic Mass: 160.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 102
- 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: 1.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Butanoic acid,4-butoxy- Related Literature
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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