Cas no 50595-37-4 (1,3-Dioxolane, 4-methyl-2-(5-nitro-2-furanyl)-)
50595-37-4 structure
Product Name:1,3-Dioxolane, 4-methyl-2-(5-nitro-2-furanyl)-
CAS No:50595-37-4
MF:C8H9NO5
MW:199.160762548447
CID:1567726
PubChem ID:12206082
Update Time:2025-04-21
1,3-Dioxolane, 4-methyl-2-(5-nitro-2-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane, 4-methyl-2-(5-nitro-2-furanyl)-
- 4-methyl-2-(5-nitrofuran-2-yl)-1,3-dioxolane
- DTXSID50480419
- SCHEMBL11775301
- 50595-37-4
-
- Inchi： 1S/C8H9NO5/c1-5-4-12-8(13-5)6-2-3-7(14-6)9(10)11/h2-3,5,8H,4H2,1H3
- InChI Key： SKUCFRFZPMVOHX-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=C([N+](=O)[O-])O2)OCC1C
Computed Properties
- Exact Mass: 199.04807
- Monoisotopic Mass: 199.04807239g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 228
- 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
- Topological Polar Surface Area: 77.4?2
Experimental Properties
- PSA: 74.74
1,3-Dioxolane, 4-methyl-2-(5-nitro-2-furanyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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