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1-benzothiophene-3-carboxylic acid

Catalog Number
ACM5381259
CAS Number
5381-25-9
Product Name
1-benzothiophene-3-carboxylic acid
Structure
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
1-benzothiophene-3-carboxylic acid
Molecular Weight
178.21g/mol
Molecular Formula
C9H6O2S
Canonical SMILES
C1=CC=C2C(=C1)C(=CS2)C(=O)O
InChI
InChI=1S/C9H6O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)
InChI Key
DRBLTQNCQJXSNU-UHFFFAOYSA-N
Purity
98%
Complexity
193
Covalently-Bonded Unit Count
1
Exact Mass
178.008851g/mol
Formal Charge
0
Heavy Atom Count
12
Monoisotopic Mass
178.008851g/mol
Rotatable Bond Count
1
XLogP3
2.6
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