Cas no 1420885-48-8 (Methyl 1-isopropyl-1H-imidazole-2-carboxylate)
1420885-48-8 structure
Product Name:Methyl 1-isopropyl-1H-imidazole-2-carboxylate
CAS No:1420885-48-8
MF:C8H12N2O2
MW:168.193081855774
CID:2174648
Update Time:2023-08-05
Methyl 1-isopropyl-1H-imidazole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 1-isopropyl-1h-imidazole-2-carboxylate
- AM99229
- Methyl 1-isopropyl-1H-imidazole-2-carboxylate
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- Inchi： 1S/C8H12N2O2/c1-6(2)10-5-4-9-7(10)8(11)12-3/h4-6H,1-3H3
- InChI Key： QMLYHLKDVOSELV-UHFFFAOYSA-N
- SMILES： O(C)C(C1=NC=CN1C(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- Topological Polar Surface Area: 44.1
Methyl 1-isopropyl-1H-imidazole-2-carboxylate Related Literature
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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