Benzo[b]thiophen-3(2H)-one


Chemical Name: Benzo[b]thiophen-3(2H)-one
CAS Number: 130-03-0
Product Number: AG000TUV(AGN-PC-0NDZ8O)
Synonyms:
MDL No:
Molecular Formula: C8H6OS
Molecular Weight: 150.1976

Identification/Properties


Computed Properties
Molecular Weight:
150.195g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
150.014g/mol
Monoisotopic Mass:
150.014g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
155
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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