Cas no 182067-54-5 (Benzaldehyde,2-ethoxy-3-hydroxy-4-nitro-)
182067-54-5 structure
Product Name:Benzaldehyde,2-ethoxy-3-hydroxy-4-nitro-
CAS No:182067-54-5
MF:C9H9NO5
MW:211.171462774277
CID:113770
PubChem ID:10727203
Update Time:2025-04-18
Benzaldehyde,2-ethoxy-3-hydroxy-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,2-ethoxy-3-hydroxy-4-nitro-
- 2-ethoxy-3-hydroxy-4-nitrobenzaldehyde
- Benzaldehyde, 2-ethoxy-3-hydroxy-4-nitro- (9CI)
- 182067-54-5
- DTXSID60444022
-
- Inchi： 1S/C9H9NO5/c1-2-15-9-6(5-11)3-4-7(8(9)12)10(13)14/h3-5,12H,2H2,1H3
- InChI Key： QHPJVJZVRNEKLE-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=C(C=CC=1C=O)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 211.04807
- Monoisotopic Mass: 211.04807239g/mol
- 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
- XLogP3: 1.7
- Topological Polar Surface Area: 92.4?2
Experimental Properties
- PSA: 89.67
Benzaldehyde,2-ethoxy-3-hydroxy-4-nitro- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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