Benzoic acid, 5-hydroxy-4-methoxy-2-nitro-


Chemical Name: Benzoic acid, 5-hydroxy-4-methoxy-2-nitro-
CAS Number: 31839-20-0
Product Number: AG00C8LR(AGN-PC-0O8V89)
Synonyms:
MDL No:
Molecular Formula: C8H7NO6
Molecular Weight: 213.1443

Identification/Properties


Computed Properties
Molecular Weight:
213.145g/mol
XLogP3:
0.9
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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