Cas no 79894-08-9 (9-Dodecenoic acid, 12-hydroxy-, ethyl ester, (Z)-)
79894-08-9 structure
Product Name:9-Dodecenoic acid, 12-hydroxy-, ethyl ester, (Z)-
CAS No:79894-08-9
MF:C14H26O3
MW:242.354444980621
CID:531504
PubChem ID:71402486
Update Time:2025-04-19
9-Dodecenoic acid, 12-hydroxy-, ethyl ester, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Dodecenoic acid, 12-hydroxy-, ethyl ester, (Z)-
- ethyl 12-hydroxydodec-9-enoate
- DTXSID90823447
- 79894-08-9
-
- Inchi： 1S/C14H26O3/c1-2-17-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h7,9,15H,2-6,8,10-13H2,1H3
- InChI Key： PFGWTCJGGAZASY-UHFFFAOYSA-N
- SMILES： O(CC)C(CCCCCCCC=CCCO)=O
Computed Properties
- Exact Mass: 242.18819469g/mol
- 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: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.5
- Topological Polar Surface Area: 46.5?2
9-Dodecenoic acid, 12-hydroxy-, ethyl ester, (Z)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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