Benzo[b]thiophene-3-carboxylic acid


Chemical Name: Benzo[b]thiophene-3-carboxylic acid
CAS Number: 5381-25-9
Product Number: AG003DZ1(AGN-PC-0JTLG5)
Synonyms:
MDL No:
Molecular Formula: C9H6O2S
Molecular Weight: 178.2077

Identification/Properties


Properties
MP:
174-176 C
BP:
376.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
178.205g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
178.009g/mol
Monoisotopic Mass:
178.009g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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


NMR Spectrum


Other Analytical Data


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