Benzoic acid, 4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester


Chemical Name: Benzoic acid, 4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester
CAS Number: 179688-26-7
Product Number: AG002771(AGN-PC-0NHBS5)
Synonyms:
MDL No:
Molecular Formula: C15H21NO8
Molecular Weight: 343.3291

Identification/Properties


Computed Properties
Molecular Weight:
343.332g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
11
Exact Mass:
343.127g/mol
Monoisotopic Mass:
343.127g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
386
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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