Cas no 89863-03-6 (1,3-Dioxan-5-ol, 2-(4-nitrophenyl)-)
89863-03-6 structure
Product Name:1,3-Dioxan-5-ol, 2-(4-nitrophenyl)-
CAS No:89863-03-6
MF:C10H11NO5
MW:225.198043107986
CID:586817
PubChem ID:13023761
Update Time:2025-04-19
1,3-Dioxan-5-ol, 2-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxan-5-ol, 2-(4-nitrophenyl)-
- 2-(4-nitrophenyl)-1,3-dioxan-5-ol
- 89863-03-6
- DTXSID10515478
-
- Inchi： 1S/C10H11NO5/c12-9-5-15-10(16-6-9)7-1-3-8(4-2-7)11(13)14/h1-4,9-10,12H,5-6H2
- InChI Key： MNRWJWLZUUIWRE-UHFFFAOYSA-N
- SMILES： O1CC(COC1C1C=CC(=CC=1)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 225.06372245g/mol
- Monoisotopic Mass: 225.06372245g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 238
- 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: 0.5
- Topological Polar Surface Area: 84.5?2
1,3-Dioxan-5-ol, 2-(4-nitrophenyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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