Cas no 835-72-3 (1,3-Dioxane, 4-methyl-2-(4-nitrophenyl)-)
835-72-3 structure
Product Name:1,3-Dioxane, 4-methyl-2-(4-nitrophenyl)-
CAS No:835-72-3
MF:C11H13NO4
MW:223.225223302841
CID:668875
PubChem ID:12517391
Update Time:2025-04-19
1,3-Dioxane, 4-methyl-2-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 4-methyl-2-(4-nitrophenyl)-
- 4-methyl-2-(4-nitrophenyl)-1,3-dioxane
- 835-72-3
- DTXSID70501079
-
- Inchi： 1S/C11H13NO4/c1-8-6-7-15-11(16-8)9-2-4-10(5-3-9)12(13)14/h2-5,8,11H,6-7H2,1H3
- InChI Key： OHSIUDJXOSSFJJ-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=CC=2)[N+](=O)[O-])OCCC1C
Computed Properties
- Exact Mass: 223.08445790g/mol
- Monoisotopic Mass: 223.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 64.3?2
1,3-Dioxane, 4-methyl-2-(4-nitrophenyl)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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