Benzene, 1-methyl-4-[(1E)-2-nitroethenyl]-


Chemical Name: Benzene, 1-methyl-4-[(1E)-2-nitroethenyl]-
CAS Number: 5153-68-4
Product Number: AG003UY9(AGN-PC-0OBIZI)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Properties
MP:
102-104 °C(lit.)
BP:
275.017°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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