Cas no 23281-36-9 (1,3-Dioxane,5,5-dimethyl-2-(3-nitrophenyl)-)
23281-36-9 structure
Product Name:1,3-Dioxane,5,5-dimethyl-2-(3-nitrophenyl)-
CAS No:23281-36-9
MF:C12H15NO4
MW:237.251803636551
CID:266189
PubChem ID:241278
Update Time:2025-04-19
1,3-Dioxane,5,5-dimethyl-2-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane,5,5-dimethyl-2-(3-nitrophenyl)-
- 5,5-dimethyl-2-(3-nitrophenyl)-1,3-dioxane
- 5,5-dimethyl-2-(3'-nitrophenyl)-1,3-dioxane
- AC1L670H
- AC1Q1YOH
- AR-1G5927
- CTK4F1234
- HMS3089G03
- m-nitrobenzaldehyde neopentyl glycol acetal
- NSC48561
- SMR001556966
- DTXSID50286998
- SR-01000197102-1
- MLS002667195
- SR-01000197102
- NSC-48561
- 23281-36-9
-
- Inchi： 1S/C12H15NO4/c1-12(2)7-16-11(17-8-12)9-4-3-5-10(6-9)13(14)15/h3-6,11H,7-8H2,1-2H3
- InChI Key： FSETUSRKOSOTEQ-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=C(C=2)[N+](=O)[O-])OCC(C)(C)C1
Computed Properties
- Exact Mass: 237.10015
- Monoisotopic Mass: 237.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 277
- 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: 2.3
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- Density: 1.168
- Boiling Point: 333.9°Cat760mmHg
- Flash Point: 139°C
- Refractive Index: 1.522
- PSA: 61.6
- LogP: 3.18960
1,3-Dioxane,5,5-dimethyl-2-(3-nitrophenyl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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