Cas no 66385-02-2 (3-Methoxy-2-methyl-2-nitropropan-1-ol)
66385-02-2 structure
Product Name:3-Methoxy-2-methyl-2-nitropropan-1-ol
CAS No:66385-02-2
MF:C5H11NO4
MW:149.145141839981
CID:2795710
PubChem ID:71369511
Update Time:2025-04-21
3-Methoxy-2-methyl-2-nitropropan-1-ol Chemical and Physical Properties
Names and Identifiers
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- DTXSID20792531
- 66385-02-2
- 3-Methoxy-2-methyl-2-nitropropan-1-ol
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- Inchi： 1S/C5H11NO4/c1-5(3-7,4-10-2)6(8)9/h7H,3-4H2,1-2H3
- InChI Key： AOCXKOLJFNFWAQ-UHFFFAOYSA-N
- SMILES： O(C)CC(C)(CO)[N+](=O)[O-]
Computed Properties
- Exact Mass: 149.06880783Da
- Monoisotopic Mass: 149.06880783Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 121
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 75.3?2
3-Methoxy-2-methyl-2-nitropropan-1-ol Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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