Cas no 15121-85-4 (1,3-Propanediol, 2-(2-nitrophenyl)-)
15121-85-4 structure
Product Name:1,3-Propanediol, 2-(2-nitrophenyl)-
CAS No:15121-85-4
MF:C9H11NO4
MW:197.187942743301
CID:1327244
PubChem ID:13627673
Update Time:2025-04-20
1,3-Propanediol, 2-(2-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 2-(2-nitrophenyl)-
- 2-(2-nitrophenyl)propane-1,3-diol
- KZJIJJUXIGOECZ-UHFFFAOYSA-N
- DTXSID90545374
- 15121-85-4
- 2-(2-nitrophenyl)-propane-1,3-diol
- AKOS006294715
- 2-(2-nitrophenyl)-1,3-propanediol
- SCHEMBL2941917
-
- Inchi： 1S/C9H11NO4/c11-5-7(6-12)8-3-1-2-4-9(8)10(13)14/h1-4,7,11-12H,5-6H2
- InChI Key： KZJIJJUXIGOECZ-UHFFFAOYSA-N
- SMILES： OCC(CO)C1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 197.06880783g/mol
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 188
- 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: 86.3?2
1,3-Propanediol, 2-(2-nitrophenyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
15121-85-4 (1,3-Propanediol, 2-(2-nitrophenyl)-) Related Products
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