Cas no 145066-77-9 (Dodecanoic acid,3-nonyl-)
Dodecanoic acid,3-nonyl- structure
Product Name:Dodecanoic acid,3-nonyl-
CAS No:145066-77-9
MF:C21H42O2
MW:326.556987285614
CID:101900
PubChem ID:15298643
Update Time:2025-04-18
Dodecanoic acid,3-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid,3-nonyl-
- 3-nonyldodecanoic acid
- DTXSID40571123
- 145066-77-9
- SCHEMBL2307490
-
- Inchi： 1S/C21H42O2/c1-3-5-7-9-11-13-15-17-20(19-21(22)23)18-16-14-12-10-8-6-4-2/h20H,3-19H2,1-2H3,(H,22,23)
- InChI Key： DTPRFTCVNRCFTB-UHFFFAOYSA-N
- SMILES： OC(CC(CCCCCCCCC)CCCCCCCCC)=O
Computed Properties
- Exact Mass: 326.31866
- Monoisotopic Mass: 326.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 18
- Complexity: 232
- 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: 9.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Dodecanoic acid,3-nonyl- Related Literature
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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
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
145066-77-9 (Dodecanoic acid,3-nonyl-) Related Products
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- 4839-46-7(3,3-Dimethylglutaric Acid)
- 97-61-0(2-Methyl-pentanoic Acid)
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- 503-74-2(Isovaleric acid)
- 1703-58-8(1,2,3,4-Butanetetracarboxylic acid)
- 1188-02-9(2-Methylheptanoic acid)
- 1460-16-8(Cycloheptanecarboxylic acid)
- 105-43-1(3-methylpentanoic acid)
- 99-66-1(Valproic acid)
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