Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester


Chemical Name: Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester
CAS Number: 26791-93-5
Product Number: AG007MQY(AGN-PC-0D1UJ4)
Synonyms:
MDL No: MFCD00007239
Molecular Formula: C10H11NO6
Molecular Weight: 241.1974

Identification/Properties


Computed Properties
Molecular Weight:
241.199g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
241.059g/mol
Monoisotopic Mass:
241.059g/mol
Topological Polar Surface Area:
90.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
289
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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