Cas no 144796-91-8 (Octacosanoic acid,27-oxo-)
Octacosanoic acid,27-oxo- structure
Product Name:Octacosanoic acid,27-oxo-
CAS No:144796-91-8
MF:C28H54O3
MW:438.726569652557
CID:217471
PubChem ID:126844
Update Time:2025-04-19
Octacosanoic acid,27-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Octacosanoic acid,27-oxo-
- 27-oxooctacosanoic acid
- 27-Keto octacosanoic acid
- 144796-91-8
- SCHEMBL2989964
- Octacosanoic acid, 27-oxo-
- DTXSID60162810
-
- Inchi： 1S/C28H54O3/c1-27(29)25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h2-26H2,1H3,(H,30,31)
- InChI Key： HAAQMOLIPYBWGD-UHFFFAOYSA-N
- SMILES： O=C(C)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 438.40752
- Monoisotopic Mass: 438.40729558g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 26
- Complexity: 392
- 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: 11.5
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Octacosanoic acid,27-oxo- Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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