Cas no 321995-17-9 (Acetic acid, 2-nitro-,cyclopropylmethyl ester)
321995-17-9 structure
Product Name:Acetic acid, 2-nitro-,cyclopropylmethyl ester
CAS No:321995-17-9
MF:C6H9NO4
MW:159.139961957932
CID:301398
PubChem ID:11252153
Update Time:2025-04-19
Acetic acid, 2-nitro-,cyclopropylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, 2-nitro-,cyclopropylmethyl ester
- Aceticacid, nitro-, cyclopropylmethyl ester (9CI)
- 321995-17-9
- Acetic acid,nitro-,cyclopropylmethyl ester(9ci)
- Cyclopropylmethyl nitroacetate
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- Inchi： 1S/C6H9NO4/c8-6(3-7(9)10)11-4-5-1-2-5/h5H,1-4H2
- InChI Key： YLEKTNYVLOYDNE-UHFFFAOYSA-N
- SMILES： O(C(C[N+](=O)[O-])=O)CC1CC1
Computed Properties
- Exact Mass: 159.05315777g/mol
- Monoisotopic Mass: 159.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 0.9
- Topological Polar Surface Area: 72.1?2
Acetic acid, 2-nitro-,cyclopropylmethyl ester Related Literature
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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