Cas no 61684-05-7 (1,3-Dioxolane, 4,5-dimethyl-2-(4-nitrophenyl)-)
61684-05-7 structure
Product Name:1,3-Dioxolane, 4,5-dimethyl-2-(4-nitrophenyl)-
CAS No:61684-05-7
MF:C11H13NO4
MW:223.225223302841
CID:470151
PubChem ID:71393427
Update Time:2025-04-19
1,3-Dioxolane, 4,5-dimethyl-2-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane, 4,5-dimethyl-2-(4-nitrophenyl)-
- 4,5-dimethyl-2-(4-nitrophenyl)-1,3-dioxolane
- 61684-05-7
- DTXSID60815192
-
- Inchi： 1S/C11H13NO4/c1-7-8(2)16-11(15-7)9-3-5-10(6-4-9)12(13)14/h3-8,11H,1-2H3
- InChI Key： NVHZQMQKESVYMO-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=CC=2)[N+](=O)[O-])OC(C)C1C
Computed Properties
- Exact Mass: 223.08449
- 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: 247
- 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: 2
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
1,3-Dioxolane, 4,5-dimethyl-2-(4-nitrophenyl)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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