Hexanoic acid, 4-nitrophenyl ester


Chemical Name: Hexanoic acid, 4-nitrophenyl ester
CAS Number: 956-75-2
Product Number: AG00IJ82(AGN-PC-0JT0FI)
Synonyms:
MDL No:
Molecular Formula: C12H15NO4
Molecular Weight: 237.2518

Identification/Properties


Computed Properties
Molecular Weight:
237.255g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
237.1g/mol
Monoisotopic Mass:
237.1g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
254
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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