Cas no 333-60-8 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2-oxodecanoic acid
- 2-oxo capric acid
- 2-Oxodecanoate
- 2-oxo-decanoic acid
- 2-Oxo-decansaeure
- AC1L61UM
- AC1Q5BXR
- AR-1E4663
- CTK4H0468
- NSC90359
- 333-60-8
- SCHEMBL646307
- LMFA01060001
- Q27115976
- CHEBI:34301
- NSC-90359
- oxodecanoic acid
- DTXSID50293521
-
-
- Inchi： 1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2-8H2,1H3,(H,12,13)
- InChI Key： JBFDBSZCFDASAE-UHFFFAOYSA-N
- SMILES： O=C(C(=O)O)CCCCCCCC
Computed Properties
- Exact Mass: 186.12564
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 164
- 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: 3.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 2.39070
Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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