3-Buten-2-one, 4-(2-thienyl)-, (3E)-


Chemical Name: 3-Buten-2-one, 4-(2-thienyl)-, (3E)-
CAS Number: 33603-63-3
Product Number: AG007DJA(AGN-PC-0O91QO)
Synonyms:
MDL No:
Molecular Formula: C8H8OS
Molecular Weight: 152.2135

Identification/Properties


Computed Properties
Molecular Weight:
152.211g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
152.03g/mol
Monoisotopic Mass:
152.03g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
151
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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