Cas no 62224-08-2 (Benzene, 1,3-bis(methoxymethyl)-2-methyl-5-nitro-)
62224-08-2 structure
Product Name:Benzene, 1,3-bis(methoxymethyl)-2-methyl-5-nitro-
CAS No:62224-08-2
MF:C11H15NO4
MW:225.241103410721
CID:453707
PubChem ID:71388617
Update Time:2025-04-19
Benzene, 1,3-bis(methoxymethyl)-2-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-bis(methoxymethyl)-2-methyl-5-nitro-
- 1,3-bis(methoxymethyl)-2-methyl-5-nitrobenzene
- DTXSID50810676
- 62224-08-2
-
- Inchi： 1S/C11H15NO4/c1-8-9(6-15-2)4-11(12(13)14)5-10(8)7-16-3/h4-5H,6-7H2,1-3H3
- InChI Key： RYKJVWIPNRXVON-UHFFFAOYSA-N
- SMILES： O(C)CC1C=C(C=C(COC)C=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 225.10015
- Monoisotopic Mass: 225.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 213
- 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: 1.4
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
Benzene, 1,3-bis(methoxymethyl)-2-methyl-5-nitro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
62224-08-2 (Benzene, 1,3-bis(methoxymethyl)-2-methyl-5-nitro-) Related Products
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