Cas no 13403-73-1 (Pentanol)
Pentanol structure
Product Name:Pentanol
CAS No:13403-73-1
MF:C5H12O
MW:88.1481819152832
CID:2657612
Update Time:2024-02-28
Pentanol Chemical and Physical Properties
Names and Identifiers
-
- PENTANOL
- Pentanol
-
- Inchi： 1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
- InChI Key： AMQJEAYHLZJPGS-UHFFFAOYSA-N
- SMILES： C(O)CCCC
Computed Properties
- Exact Mass: 88.088815
- Monoisotopic Mass: 88.088815
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 27.1
- 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: 1.2
- Topological Polar Surface Area: 20.2
Pentanol Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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