Ethanone, 1-(3-hydroxy-4-nitrophenyl)-


Chemical Name: Ethanone, 1-(3-hydroxy-4-nitrophenyl)-
CAS Number: 89942-63-2
Product Number: AG00GUKA(AGN-PC-03F15J)
Synonyms:
MDL No:
Molecular Formula: C8H7NO4
Molecular Weight: 181.14548

Identification/Properties


Computed Properties
Molecular Weight:
181.147g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
181.038g/mol
Monoisotopic Mass:
181.038g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
223
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
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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