Cas no 67945-22-6 (trans-diethyl caronate)
trans-diethyl caronate structure
Product Name:trans-diethyl caronate
CAS No:67945-22-6
MF:C11H18O4
MW:214.258224010468
CID:967948
PubChem ID:75530030
Update Time:2025-04-19
trans-diethyl caronate Chemical and Physical Properties
Names and Identifiers
-
- trans-diethyl caronate
- diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate
- ethyl (1S,3S)-3-(ethoxycarbonyl)-2,2-dimethylcyclopropanecarboxylate
- AKOS025213577
- trans-Diethyl3,3-dimethylcyclopropane-1,2-dicarboxylate
- 67945-22-6
- (1R,2R)-diethyl 3,3-dimethylcyclopropane-1,2-dicarboxylate
- Diethyl (1R,2R)-3,3-dimethylcyclopropane-1,2-dicarboxylate
-
- Inchi： 1S/C11H18O4/c1-5-14-9(12)7-8(11(7,3)4)10(13)15-6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
- InChI Key： MPRMNWDIYNBXRC-YUMQZZPRSA-N
- SMILES： O(CC)C([C@@H]1[C@@H](C(=O)OCC)C1(C)C)=O
Computed Properties
- Exact Mass: 214.12100
- Monoisotopic Mass: 214.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 244
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.6
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- Color/Form: Not available
- Density: 1.0010 (rough estimate)
- Boiling Point: 274.39°C (rough estimate)
- Flash Point: 120.8°C
- Refractive Index: 1.4425-1.4445
- PSA: 52.60000
- LogP: 1.38480
- Solubility: Not available
trans-diethyl caronate Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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