Acetic acid, (2-formylphenoxy)-


Chemical Name: Acetic acid, (2-formylphenoxy)-
CAS Number: 6280-80-4
Product Number: AG003HCD(AGN-PC-0JKVC7)
Synonyms:
MDL No:
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Properties
MP:
129.5-132 °C(lit.)
BP:
272.96°C (rough estimate)
Storage:
2-8℃;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.4500 (estimate)
Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
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:
H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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