3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-


Chemical Name: 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
CAS Number: 1080-12-2
Product Number: AG003K3W(AGN-PC-0CPR3T)
Synonyms:
MDL No:
Molecular Formula: C11H12O3
Molecular Weight: 192.2112

Identification/Properties


Properties
MP:
125-130 °C
BP:
348.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.4600 (estimate)
Computed Properties
Molecular Weight:
192.214g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
192.079g/mol
Monoisotopic Mass:
192.079g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
223
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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