Cas no 1401222-88-5 (isopropyl 3-oxoazetidine-1-carboxylate)
1401222-88-5 structure
Product Name:isopropyl 3-oxoazetidine-1-carboxylate
CAS No:1401222-88-5
MF:C7H11NO3
MW:157.167142152786
CID:2126358
Update Time:2023-11-19
isopropyl 3-oxoazetidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- isopropyl 3-oxoazetidine-1-carboxylate
- CID 130119321
- 1-Azetidinecarboxylic acid, 3-oxo-, 1-methylethyl ester
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- Inchi： 1S/C7H11NO3/c1-5(2)11-7(10)8-3-6(9)4-8/h5H,3-4H2,1-2H3
- InChI Key： XAPYKXSGCKFIIQ-UHFFFAOYSA-N
- SMILES： O(C(C)C)C(N1CC(C1)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 180
- Topological Polar Surface Area: 46.6
Experimental Properties
- Density: 1.213±0.06 g/cm3(Predicted)
- Boiling Point: 243.7±33.0 °C(Predicted)
- pka: -1.97±0.20(Predicted)
isopropyl 3-oxoazetidine-1-carboxylate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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