Cas no 481065-73-0 (Benzeneacetic acid, 4-ethyl-2-nitro-, methyl ester (9CI))
481065-73-0 structure
Product Name:Benzeneacetic acid, 4-ethyl-2-nitro-, methyl ester (9CI)
CAS No:481065-73-0
MF:C11H13NO4
MW:223.225223302841
CID:931783
PubChem ID:45095511
Update Time:2025-04-19
Benzeneacetic acid, 4-ethyl-2-nitro-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, 4-ethyl-2-nitro-, methyl ester (9CI)
- 481065-73-0
- Benzeneacetic acid,4-ethyl-2-nitro-,methyl ester(9ci)
- Methyl (4-ethyl-2-nitrophenyl)acetate
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- Inchi： 1S/C11H13NO4/c1-3-8-4-5-9(7-11(13)16-2)10(6-8)12(14)15/h4-6H,3,7H2,1-2H3
- InChI Key： UUZVZQDPIRWMPF-UHFFFAOYSA-N
- SMILES： O(C)C(CC1C=CC(=CC=1[N+](=O)[O-])CC)=O
Computed Properties
- Exact Mass: 223.084
- Monoisotopic Mass: 223.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 261
- 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
- Topological Polar Surface Area: 72.1A^2
- XLogP3: 2.3
Benzeneacetic acid, 4-ethyl-2-nitro-, methyl ester (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
481065-73-0 (Benzeneacetic acid, 4-ethyl-2-nitro-, methyl ester (9CI)) Related Products
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