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


Chemical Name: 1,3-Benzenediol, 5-[(1E)-2-(4-methoxyphenyl)ethenyl]-
CAS Number: 33626-08-3
Product Number: AG007DIE(AGN-PC-0O9213)
Synonyms:
MDL No:
Molecular Formula: C15H14O3
Molecular Weight: 242.2699

Identification/Properties


Computed Properties
Molecular Weight:
242.274g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
242.094g/mol
Monoisotopic Mass:
242.094g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
259
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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