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Benzo[b]thiophene-3-carboxaldehyde

Catalog Number
ACM5381204-1
Product Name
Benzo[b]thiophene-3-carboxaldehyde
Structure
CAS
5381-20-4
Category
Small Molecule Semiconductor Building Blocks
Synonyms
3-Formylbenzo[b]thiophene
IUPAC Name
1-benzothiophene-3-carbaldehyde
Molecular Weight
162.21
Molecular Formula
C9H6OS
Canonical SMILES
C1=CC=C2C(=C1)C(=CS2)C=O
InChI
InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
InChI Key
WDJLPQCBTBZTRH-UHFFFAOYSA-N
Boiling Point
133 °C/4 mmHg
Melting Point
58 °C
Purity
>98.0%(GC)
Density
Air Sensitive
Appearance
White to Orange to Green powder to crystal
Storage
Store under inert gas
Complexity
158
Covalently-Bonded Unit Count
1
EC Number
611-051-9
Exact Mass
162.013936g/mol
Formal Charge
0
Heavy Atom Count
11
MDL Number
MFCD00052376
Monoisotopic Mass
162.013936g/mol
NSC Number
18872
Rotatable Bond Count
1
XLogP3
2.6
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