Cas no 5470-16-6 (N'-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3-methylphenoxy)acetohydrazide)
![N'-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3-methylphenoxy)acetohydrazide structure](https://ossimg.kuujia.com/scimg/5500/5470-16-6x500.png)
5470-16-6 structure
Product Name:N'-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3-methylphenoxy)acetohydrazide
CAS No:5470-16-6
MF:C17H17N3O6
MW:359.333384275436
CID:1593430
PubChem ID:135479472
Update Time:2025-04-21
N'-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3-methylphenoxy)acetohydrazide Chemical and Physical Properties
Names and Identifiers
-
- N'-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3-methylphenoxy)acetohydrazide
- STK667774
- CCG-8520
- N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-(3-methylphenoxy)acetohydrazide
- 5470-16-6
- BIM-0020765.P001
- AKOS001714557
-
- Inchi： 1S/C17H17N3O6/c1-11-4-3-5-13(6-11)26-10-16(21)19-18-9-12-7-14(20(23)24)17(22)15(8-12)25-2/h3-9,22H,10H2,1-2H3,(H,19,21)/b18-9+
- InChI Key： UZUFSCZHQMQTRI-GIJQJNRQSA-N
- SMILES： O(CC(N/N=C/C1C=C(C(=C(C=1)[N+](=O)[O-])O)OC)=O)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 359.11181
- Monoisotopic Mass: 359.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 662
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 123A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.36
- Boiling Point: 491.7°C at 760 mmHg
- Flash Point: 251.2°C
- Refractive Index: 1.612
- PSA: 119.8
N'-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3-methylphenoxy)acetohydrazide Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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