2-Butenoic acid, 4-(4-methylphenyl)-4-oxo-, (2E)-


Chemical Name: 2-Butenoic acid, 4-(4-methylphenyl)-4-oxo-, (2E)-
CAS Number: 20972-36-5
Product Number: AG002KDM(AGN-PC-0O7P8I)
Synonyms:
MDL No:
Molecular Formula: C11H10O3
Molecular Weight: 190.1953

Identification/Properties


Properties
Storage:
Room Temperature;Keep in dry area;
Computed Properties
Molecular Weight:
190.198g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
190.063g/mol
Monoisotopic Mass:
190.063g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
247
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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