1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-


Chemical Name: 1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-
CAS Number: 501-36-0
Product Number: AG0035KE(AGN-PC-0OB77W)
Synonyms:
MDL No:
Molecular Formula: C14H12O3
Molecular Weight: 228.2433

Identification/Properties


Properties
MP:
253-255 °C
BP:
449.1 °C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
228.247g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
228.079g/mol
Monoisotopic Mass:
228.079g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
246
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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