Acetic acid, (2-cyanophenoxy)-


Chemical Name: Acetic acid, (2-cyanophenoxy)-
CAS Number: 6574-95-4
Product Number: AG003BMY(AGN-PC-0KBPSE)
Synonyms:
MDL No:
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568

Identification/Properties


Properties
MP:
181-182°
BP:
309.06°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5200 (estimate)
Computed Properties
Molecular Weight:
177.159g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
177.043g/mol
Monoisotopic Mass:
177.043g/mol
Topological Polar Surface Area:
70.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
230
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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