Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester


Chemical Name: Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester
CAS Number: 164161-49-3
Product Number: AG001UOW(AGN-PC-03UJKX)
Synonyms:
MDL No: MFCD17168894
Molecular Formula: C16H15NO6
Molecular Weight: 317.2934

Identification/Properties


Computed Properties
Molecular Weight:
317.297g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
317.09g/mol
Monoisotopic Mass:
317.09g/mol
Topological Polar Surface Area:
90.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
404
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

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NMR Spectrum


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