Cas no 13038-20-5 (2-Dodecenedioic acid, dimethyl ester, (E)-)
13038-20-5 structure
Product Name:2-Dodecenedioic acid, dimethyl ester, (E)-
CAS No:13038-20-5
MF:C14H24O4
MW:256.337965011597
CID:2769913
PubChem ID:534595
Update Time:2025-04-21
2-Dodecenedioic acid, dimethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- DTXCID80287650
- DTXSID30336561
- dimethyl dodecenediate
- 13038-20-5
- 2-Dodecenedioic acid, dimethyl ester, (E)-
-
- Inchi： 1S/C14H24O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h9,11H,3-8,10,12H2,1-2H3
- InChI Key： XKZYDAGFYXSVFG-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCC=CC(=O)OC)=O
Computed Properties
- Exact Mass: 256.16745924Da
- Monoisotopic Mass: 256.16745924Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 259
- 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: 3.7
- Topological Polar Surface Area: 52.6?2
2-Dodecenedioic acid, dimethyl ester, (E)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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