Cas no 651733-13-0 (Acetamide, N-[2-(hydroxymethyl)-5-nitrophenyl]-)
![Acetamide, N-[2-(hydroxymethyl)-5-nitrophenyl]- structure](https://ossimg.kuujia.com/scimg/652000/651733-13-0x500.png)
651733-13-0 structure
Product Name:Acetamide, N-[2-(hydroxymethyl)-5-nitrophenyl]-
CAS No:651733-13-0
MF:C9H10N2O4
MW:210.186702251434
CID:403868
PubChem ID:69869554
Update Time:2025-04-19
Acetamide, N-[2-(hydroxymethyl)-5-nitrophenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-[2-(hydroxymethyl)-5-nitrophenyl]-
- N-[2-(hydroxymethyl)-5-nitrophenyl]acetamide
- 2-acetamido-4-nitrobenzyl alcohol
- Acetamide,N-[2-(hydroxymethyl)-5-nitrophenyl]
- MDTICKRXNZLAHC-UHFFFAOYSA-N
- DTXSID90741455
- SCHEMBL6696208
- 651733-13-0
-
- Inchi： 1S/C9H10N2O4/c1-6(13)10-9-4-8(11(14)15)3-2-7(9)5-12/h2-4,12H,5H2,1H3,(H,10,13)
- InChI Key： MDTICKRXNZLAHC-UHFFFAOYSA-N
- SMILES： OCC1C=CC(=CC=1NC(C)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 210.06400
- Monoisotopic Mass: 210.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 251
- 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: 0.6
- Topological Polar Surface Area: 95.2?2
Experimental Properties
- PSA: 98.64000
- LogP: 2.21820
Acetamide, N-[2-(hydroxymethyl)-5-nitrophenyl]- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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