Cas no 105996-22-3 (Heptanedioic acid, 2-(1-oxoheptyl)-, diethyl ester)
105996-22-3 structure
Product Name:Heptanedioic acid, 2-(1-oxoheptyl)-, diethyl ester
CAS No:105996-22-3
MF:C18H32O5
MW:328.443686485291
CID:1168043
Update Time:2024-07-26
Heptanedioic acid, 2-(1-oxoheptyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
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- Heptanedioic acid, 2-(1-oxoheptyl)-, diethyl ester
- Heptanedioic acid, 2-(1-oxoheptyl)-, 1,7-diethyl ester
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- Inchi： 1S/C18H32O5/c1-4-7-8-9-13-16(19)15(18(21)23-6-3)12-10-11-14-17(20)22-5-2/h15H,4-14H2,1-3H3
- InChI Key： IDUUVGSZDXGQIN-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C(C(=O)CCCCCC)CCCCC(OCC)=O
Computed Properties
- Exact Mass: 328.22506
Experimental Properties
- Density: 0.994±0.06 g/cm3(Predicted)
- Boiling Point: 411.5±35.0 °C(Predicted)
- PSA: 69.67
- pka: 11.63±0.59(Predicted)
Heptanedioic acid, 2-(1-oxoheptyl)-, diethyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
105996-22-3 (Heptanedioic acid, 2-(1-oxoheptyl)-, diethyl ester) Related Products
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- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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