Benzo[b]thiophene-4-carboxylic acid


Chemical Name: Benzo[b]thiophene-4-carboxylic acid
CAS Number: 10134-95-9
Product Number: AG0004AC(AGN-PC-0JZUZT)
Synonyms:
MDL No:
Molecular Formula: C9H6O2S
Molecular Weight: 178.2077

Identification/Properties


Computed Properties
Molecular Weight:
178.205g/mol
XLogP3:
2.5
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


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


Request for Quotation


Customer Feedback