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


Chemical Name: Benzoic acid, 3-methyl-4-nitro-, ethyl ester
CAS Number: 30650-90-9
Product Number: AG0030QK(AGN-PC-0KL8KD)
Synonyms:
MDL No: MFCD00115804
Molecular Formula: C10H11NO4
Molecular Weight: 209.1986

Identification/Properties


Properties
MP:
53 - 54 °C
BP:
331.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
209.201g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
209.069g/mol
Monoisotopic Mass:
209.069g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
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:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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