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


Chemical Name: Benzoic acid, 3-formyl-4-nitro-, methyl ester
CAS Number: 148625-35-8
Product Number: AG001L3H(AGN-PC-0NBX2M)
Synonyms:
MDL No:
Molecular Formula: C9H7NO5
Molecular Weight: 209.1556

Identification/Properties


Computed Properties
Molecular Weight:
209.157g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
209.032g/mol
Monoisotopic Mass:
209.032g/mol
Topological Polar Surface Area:
89.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
272
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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