Cas no 22596-45-8 (Oxirane, 2-methyl-2-nitro-3-phenyl-)
22596-45-8 structure
Product Name:Oxirane, 2-methyl-2-nitro-3-phenyl-
CAS No:22596-45-8
MF:C9H9NO3
MW:179.172662496567
CID:1410868
PubChem ID:10877709
Update Time:2025-04-20
Oxirane, 2-methyl-2-nitro-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxirane, 2-methyl-2-nitro-3-phenyl-
- 2-methyl-2-nitro-3-phenyloxirane
- DTXSID10446773
- SCHEMBL11742745
- 22596-45-8
- 2-nitro-3-phenyl-2,3-epoxypropane
-
- Inchi： 1S/C9H9NO3/c1-9(10(11)12)8(13-9)7-5-3-2-4-6-7/h2-6,8H,1H3
- InChI Key： CTRGNPUSQYYAAE-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)C1(C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 179.05827
- Monoisotopic Mass: 179.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 1.5
- Topological Polar Surface Area: 58.4?2
Experimental Properties
- PSA: 55.67
Oxirane, 2-methyl-2-nitro-3-phenyl- Related Literature
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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