Ethanone, 1-(2-hydroxy-5-methyl-3-nitrophenyl)-


Chemical Name: Ethanone, 1-(2-hydroxy-5-methyl-3-nitrophenyl)-
CAS Number: 66108-30-3
Product Number: AG003HEW(AGN-PC-03DSD8)
Synonyms:
MDL No:
Molecular Formula: C9H9NO4
Molecular Weight: 195.17206

Identification/Properties


Properties
MP:
133-136 °C(lit.)
Form:
Solid
Computed Properties
Molecular Weight:
195.174g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
195.053g/mol
Monoisotopic Mass:
195.053g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
248
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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