2-Thenaldehyde


Chemical Name: 2-Thenaldehyde
CAS Number: 98-03-3
Product Number: AG0039AP(AGN-PC-0WA74P)
Synonyms:
MDL No:
Molecular Formula: C5H4OS
Molecular Weight: 112.1497

Identification/Properties


Computed Properties
Molecular Weight:
112.146g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
111.998g/mol
Monoisotopic Mass:
111.998g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
72.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H227-H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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