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Benzo[b]thiophene-2-carboxylic Acid

Catalog Number
ACM6314289-1
Product Name
Benzo[b]thiophene-2-carboxylic Acid
Structure
CAS
6314-28-9
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
1-benzothiophene-2-carboxylic acid
Molecular Weight
178.21g/mol
Molecular Formula
C9H6O2S
Canonical SMILES
C1=CC=C2C(=C1)C=C(S2)C(=O)O
InChI
InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChI Key
DYSJMQABFPKAQM-UHFFFAOYSA-N
Complexity
193
Covalently-Bonded Unit Count
1
EC Number
613-148-1
Exact Mass
178.008851g/mol
Formal Charge
0
Heavy Atom Count
12
MeSH Entry Terms
benzo(b)thiophene-2-carboxylic acid;BL 5583;BL-5583;thionaphthene-2-carboxylic acid;thionapthene-2-carboxylic acid
Monoisotopic Mass
178.008851g/mol
NSC Number
112990;40258
Rotatable Bond Count
1
UNII
HLR49221FQ
XLogP3
2.8
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