Benzoic acid, 4-hydroxy-3-methoxy-6-nitro-, methyl ester


Chemical Name: Benzoic acid, 4-hydroxy-3-methoxy-6-nitro-, methyl ester
CAS Number: 27883-60-9
Product Number: AG0039LJ(AGN-PC-0436UL)
Synonyms:
MDL No:
Molecular Formula: C9H9NO6
Molecular Weight: 227.1709

Identification/Properties


Computed Properties
Molecular Weight:
227.172g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
227.043g/mol
Monoisotopic Mass:
227.043g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
276
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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