1,3-Benzodioxole, 5-[(1E)-2-nitroethenyl]-


Chemical Name: 1,3-Benzodioxole, 5-[(1E)-2-nitroethenyl]-
CAS Number: 22568-48-5
Product Number: AG01AKBF(AGN-PC-0O80ZE)
Synonyms:
MDL No:
Molecular Formula: C9H7NO4
Molecular Weight: 193.15618

Identification/Properties


Computed Properties
Molecular Weight:
193.158g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
193.038g/mol
Monoisotopic Mass:
193.038g/mol
Topological Polar Surface Area:
64.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
248
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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