Cas no 31028-87-2 (2,5-dimethoxy-4-nitrobenzoic acid)
31028-87-2 structure
Product Name:2,5-dimethoxy-4-nitrobenzoic acid
CAS No:31028-87-2
MF:C9H9NO6
MW:227.170862913132
CID:1006777
PubChem ID:13070149
Update Time:2025-04-20
2,5-dimethoxy-4-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,5-dimethoxy-4-nitrobenzoic acid
- 2,5-dimethoxy-4-nitro-benzoic acid
- 31028-87-2
-
- MDL： MFCD09999828
- Inchi： 1S/C9H9NO6/c1-15-7-4-6(10(13)14)8(16-2)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12)
- InChI Key： PJXARYLSADDODM-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=CC=1C(=O)O)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 227.04298701g/mol
- Monoisotopic Mass: 227.04298701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 1.2
- Topological Polar Surface Area: 102?2
2,5-dimethoxy-4-nitrobenzoic acid Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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