Benzenepropanoic acid, 2-nitro-a-oxo-


Chemical Name: Benzenepropanoic acid, 2-nitro-a-oxo-
CAS Number: 5461-32-5
Product Number: AG003HT3(AGN-PC-0SHNLO)
Synonyms:
MDL No:
Molecular Formula: C9H7NO5
Molecular Weight: 209.1556

Identification/Properties


Properties
MP:
119-120 °C
BP:
379.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
209.157g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
209.032g/mol
Monoisotopic Mass:
209.032g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
283
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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