Cas no 57542-90-2 (Benzene, 1,2-dimethoxy-4-(1-methoxy-2-nitroethyl)-)
57542-90-2 structure
Product Name:Benzene, 1,2-dimethoxy-4-(1-methoxy-2-nitroethyl)-
CAS No:57542-90-2
MF:C11H15NO5
MW:241.240503549576
CID:344998
PubChem ID:3255568
Update Time:2025-04-19
Benzene, 1,2-dimethoxy-4-(1-methoxy-2-nitroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-dimethoxy-4-(1-methoxy-2-nitroethyl)-
- 1,2-dimethoxy-4-(1-methoxy-2-nitroethyl)benzene
- 57542-90-2
- DTXSID50390706
- AKOS024322303
-
- Inchi： 1S/C11H15NO5/c1-15-9-5-4-8(6-10(9)16-2)11(17-3)7-12(13)14/h4-6,11H,7H2,1-3H3
- InChI Key： SDEXXXYTUGUWOT-UHFFFAOYSA-N
- SMILES： O(C)C(C[N+](=O)[O-])C1C=CC(=C(C=1)OC)OC
Computed Properties
- Exact Mass: 241.09505
- Monoisotopic Mass: 241.09502258g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 73.5?2
Experimental Properties
- PSA: 70.83
Benzene, 1,2-dimethoxy-4-(1-methoxy-2-nitroethyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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