Benzoic acid, 4-methyl-3-nitro-, methyl ester


Chemical Name: Benzoic acid, 4-methyl-3-nitro-, methyl ester
CAS Number: 7356-11-8
Product Number: AG003LQR(AGN-PC-0JLTI2)
Synonyms:
MDL No:
Molecular Formula: C9H9NO4
Molecular Weight: 195.1721

Identification/Properties


Properties
MP:
49-53°C
BP:
298°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
195.174g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
195.053g/mol
Monoisotopic Mass:
195.053g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
236
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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