Butanoic acid, 4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]-


Chemical Name: Butanoic acid, 4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]-
CAS Number: 175281-76-2
Product Number: AG0020UU(AGN-PC-0KUE2N)
Synonyms:
MDL No:
Molecular Formula: C13H17NO7
Molecular Weight: 299.2766

Identification/Properties


Properties
MP:
163-166 °C
BP:
540.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
299.279g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
299.101g/mol
Monoisotopic Mass:
299.101g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
357
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
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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