Cas no 773101-71-6 (1,3-Dioxolane,2-(4-methyl-3-nitrophenyl)-)
773101-71-6 structure
Product Name:1,3-Dioxolane,2-(4-methyl-3-nitrophenyl)-
CAS No:773101-71-6
MF:C10H11NO4
MW:209.198642969131
CID:551951
Update Time:2024-01-30
1,3-Dioxolane,2-(4-methyl-3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane,2-(4-methyl-3-nitrophenyl)-
- 1,3-Dioxolane,2-(3-nitro-p-tolyl)- (5CI)
- 1,3-Dioxolane,2-(4-methyl-3-nitrophenyl)-(9CI)
- 2-(4-Methyl-3-nitrophenyl)-1,3-dioxolane
-
- Inchi： 1S/C10H11NO4/c1-7-2-3-8(6-9(7)11(12)13)10-14-4-5-15-10/h2-3,6,10H,4-5H2,1H3
- InChI Key： VBFJFUZLKBNDSY-UHFFFAOYSA-N
- SMILES： O1CCOC1C1=CC=C(C)C([N+]([O-])=O)=C1
Computed Properties
- Exact Mass: 209.069
- Monoisotopic Mass: 209.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 64.3A^2
1,3-Dioxolane,2-(4-methyl-3-nitrophenyl)- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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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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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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