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


Chemical Name: Benzoic acid, 2,4-dihydroxy-5-nitro-, methyl ester
CAS Number: 271261-71-3
Product Number: AG007LSF(AGN-PC-00EOX3)
Synonyms:
MDL No:
Molecular Formula: C8H7NO6
Molecular Weight: 213.1443

Identification/Properties


Computed Properties
Molecular Weight:
213.145g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
213.027g/mol
Monoisotopic Mass:
213.027g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
262
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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