Cas no 113849-14-2 (2-Furancarboxaldehyde,4-hydroxy-5-nitro-)
113849-14-2 structure
Product Name:2-Furancarboxaldehyde,4-hydroxy-5-nitro-
CAS No:113849-14-2
MF:C5H3NO5
MW:157.081021547318
CID:130304
PubChem ID:45083940
Update Time:2025-04-19
2-Furancarboxaldehyde,4-hydroxy-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxaldehyde,4-hydroxy-5-nitro-
- 2-Furancarboxaldehyde, 4-hydroxy-5-nitro- (9CI)
- AT37867
- 113849-14-2
- 4-Hydroxy-5-nitrofuran-2-carbaldehyde
- 2-Furancarboxaldehyde, 4-hydroxy-5-nitro-
- DB-270084
-
- Inchi： 1S/C5H3NO5/c7-2-3-1-4(8)5(11-3)6(9)10/h1-2,8H
- InChI Key： MSCCTOKBJZRLSL-UHFFFAOYSA-N
- SMILES： O1C(C=O)=CC(=C1[N+](=O)[O-])O
Computed Properties
- Exact Mass: 157.00109
- Monoisotopic Mass: 157.001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 96.3A^2
- XLogP3: 1.1
Experimental Properties
- PSA: 93.58
2-Furancarboxaldehyde,4-hydroxy-5-nitro- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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