Cas no 5407-68-1 ((5-nitrofuran-2-yl)methyl Acetate)
5407-68-1 structure
Product Name:(5-nitrofuran-2-yl)methyl Acetate
(5-nitrofuran-2-yl)methyl Acetate Chemical and Physical Properties
Names and Identifiers
-
- (5-nitrofuran-2-yl)methyl acetate
- SureCN436082
- AC1L2XC7
- 5-Nitro-2-acetoxymethyl-furan
- 2-Furanmethanol, 5-nitro-, acetate (ester)
- NSC6462
- 2-Acetoxymethyl-5-nitro-furan
- AC1Q5B08
- 5-nitro-2-furanmethanol,acetate (ester)
- KST-1A5989
- CTK1H3569
- (5-Nitro-2-furyl)methyl acetate
- 5-nitrofurfuryl acetate
- AI3-23605
- NSC 6462
- SCHEMBL436082
- (5-Nitro-2-furyl)methyl acetate #
- 5-nitro-2-furfuryl acetate
- FURFURYL ALCOHOL, 5-NITRO-, ACETATE
- FURFURYL ALCOHOL, 5-NITRO-, ACETATE (ESTER)
- 5I2X1D2NE3
- 2-Furanmethanol, 5-nitro-, acetate
- 2-FURANMETHANOL, 5-NITRO-, 2-ACETATE
- NSC-6462
- UNII-5I2X1D2NE3
- DTXSID90202399
- EINECS 226-469-3
- Q27262258
- 5407-68-1
- NS00032939
- (5-nitrofuran-2-yl)methyl Acetate
-
- Inchi： 1S/C7H7NO5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3
- InChI Key： PCMLAOQXILPCIL-UHFFFAOYSA-N
- SMILES： O1C(=CC=C1COC(C)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 185.03241
- Monoisotopic Mass: 185.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 211
- 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: 0.9
- Topological Polar Surface Area: 85.3?2
Experimental Properties
- PSA: 82.58
- LogP: 1.77410
(5-nitrofuran-2-yl)methyl Acetate Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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