Cas no 88222-72-4 (Tetradecanoic acid, 3-oxo-)
Tetradecanoic acid, 3-oxo- structure
Product Name:Tetradecanoic acid, 3-oxo-
CAS No:88222-72-4
MF:C14H26O3
MW:242.354444980621
CID:640748
PubChem ID:454064
Update Time:2025-04-19
Tetradecanoic acid, 3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid, 3-oxo-
- 3-oxotetradecanoic acid
- 3CO Myristic acid
- 3-ketomyristic acid
- 3-oxomyristic acid
- 3-Oxotetradecanoate
- 3-oxo-tetradecanoic acid
- 3-Oxo-tetradecansaeure
- Tetradecanoic acid,3-oxo
- LMFA01060099
- CHEBI:37270
- Q27117090
- CS-0458432
- HX28SD9DR6
- 3-Oxidanylidenetetradecanoic acid
- XLKOZYOVXNPWGT-UHFFFAOYSA-N
- 3-oxo-myristic acid
- DTXSID10332384
- 88222-72-4
- SCHEMBL1375860
- 3-Oxo-tetradecanoate
-
- Inchi： 1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
- InChI Key： XLKOZYOVXNPWGT-UHFFFAOYSA-N
- SMILES： O=C(CC(=O)O)CCCCCCCCCCC
Computed Properties
- Exact Mass: 242.18800
- Monoisotopic Mass: 242.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 212
- 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: 4.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 0.964±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 93-94 oC
- Solubility: Almost insoluble (0.087 g/l) (25 o C),
- PSA: 54.37000
- LogP: 3.95110
Tetradecanoic acid, 3-oxo- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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