Cas no 1089707-47-0 (tert-butyl 2-isopropoxyacetate)
1089707-47-0 structure
Product Name:tert-butyl 2-isopropoxyacetate
CAS No:1089707-47-0
MF:C9H18O3
MW:174.237423419952
CID:2868467
PubChem ID:20594456
Update Time:2025-04-21
tert-butyl 2-isopropoxyacetate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 2-isopropoxyacetate
- 1089707-47-0
- DB-210341
- MGXNOCHYLUSSED-UHFFFAOYSA-N
- SCHEMBL2080034
-
- Inchi： 1S/C9H18O3/c1-7(2)11-6-8(10)12-9(3,4)5/h7H,6H2,1-5H3
- InChI Key： MGXNOCHYLUSSED-UHFFFAOYSA-N
- SMILES： O(C(COC(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 174.12600
- Monoisotopic Mass: 174.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 144
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 1.75310
tert-butyl 2-isopropoxyacetate Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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