Cas no 109282-41-9 ((Exo,exo)-Diethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate)
109282-41-9 structure
Product Name:(Exo,exo)-Diethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate
CAS No:109282-41-9
MF:C12H18O5
MW:242.268324375153
CID:226102
Update Time:2023-08-03
(Exo,exo)-Diethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, diethyl ester, (1R,2S,3R,4S)-rel- (9CI)
- (exo,exo)-Diethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate
- 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, diethyl ester, (exo,exo)-
- (Exo,exo)-Diethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate
-
- Inchi： 1S/C12H18O5/c1-3-15-11(13)9-7-5-6-8(17-7)10(9)12(14)16-4-2/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-
- InChI Key： XMTANUFQUTUZGE-FIRGSJFUSA-N
- SMILES： O1[C@H]2CC[C@@H]1[C@H](C(=O)OCC)[C@@H]2C(=O)OCC
- BRN： 1251737
Computed Properties
- Exact Mass: 242.115
- Monoisotopic Mass: 242.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 284
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.8
Experimental Properties
- Density: 1.184
- Boiling Point: 319.9°C at 760 mmHg
- Flash Point: 138.5°C
- Refractive Index: 1.483
(Exo,exo)-Diethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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