Cas no 164161-21-1 (Benzaldehyde,5-ethoxy-4-hydroxy-2-nitro-)
164161-21-1 structure
Product Name:Benzaldehyde,5-ethoxy-4-hydroxy-2-nitro-
CAS No:164161-21-1
MF:C9H9NO5
MW:211.171462774277
CID:110412
PubChem ID:45094241
Update Time:2025-04-18
Benzaldehyde,5-ethoxy-4-hydroxy-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,5-ethoxy-4-hydroxy-2-nitro-
- 5-ethoxy-4-hydroxy-2-nitrobenzaldehyde
- Benzaldehyde, 5-ethoxy-4-hydroxy-2-nitro- (9CI)
- 5-Ethoxy-4-hydroxy-2-nitro-benzaldehyde
- DTXSID10667269
- AIMAXLPHCZQHCU-UHFFFAOYSA-N
- 164161-21-1
- SCHEMBL1608774
-
- Inchi： 1S/C9H9NO5/c1-2-15-9-3-6(5-11)7(10(13)14)4-8(9)12/h3-5,12H,2H2,1H3
- InChI Key： AIMAXLPHCZQHCU-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC(=C(C=O)C=1)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 211.04807
- Monoisotopic Mass: 211.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 239
- 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: 92.4A^2
- XLogP3: 1.2
Experimental Properties
- PSA: 89.67
Benzaldehyde,5-ethoxy-4-hydroxy-2-nitro- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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