Cas no 928119-46-4 (2-Nitro-benzene-1,4-dioxyacetic acid dihydrate)
928119-46-4 structure
Product Name:2-Nitro-benzene-1,4-dioxyacetic acid dihydrate
CAS No:928119-46-4
MF:C10H13NO10
MW:307.210923910141
CID:2815981
PubChem ID:71445212
Update Time:2025-04-21
2-Nitro-benzene-1,4-dioxyacetic acid dihydrate Chemical and Physical Properties
Names and Identifiers
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- 928119-46-4
- DTXSID30853783
- 2-nitro-benzene-1,4-dioxyacetic acid dihydrate
- 2,2'-[(2-Nitro-1,4-phenylene)bis(oxy)]diacetic acid--water (1/2)
- 2-Nitro-benzene-1,4-dioxyacetic acid dihydrate
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- Inchi： 1S/C10H9NO8.2H2O/c12-9(13)4-18-6-1-2-8(19-5-10(14)15)7(3-6)11(16)17;;/h1-3H,4-5H2,(H,12,13)(H,14,15);2*1H2
- InChI Key： LGCLRAJMSYOWID-UHFFFAOYSA-N
- SMILES： O(CC(=O)O)C1C=CC(=CC=1[N+](=O)[O-])OCC(=O)O.O.O
Computed Properties
- Exact Mass: 307.05394561Da
- Monoisotopic Mass: 307.05394561Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 352
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 141?2
2-Nitro-benzene-1,4-dioxyacetic acid dihydrate Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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