3-Benzo[b]thiophen-2-yl-acrylic acid tert-butyl ester

HCID 67205867
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Basic information

Standard SMILES
CC(C)(C)OC(=O)C=Cc1cc2ccccc2s1
InChIKey
GJQKGIATWURCNK-UHFFFAOYSA-N
Molecular formula
C15H16O2S
Average molar mass
260.4 g/mol

Names & identifiers

Preferred name
3-Benzo[b]thiophen-2-yl-acrylic acid tert-butyl ester
IUPAC
tert-butyl 3-(1-benzothiophen-2-yl)prop-2-enoate

Names & synonyms

SCHEMBL1903001GJQKGIATWURCNK-UHFFFAOYSA-N3-Benzo[b]thiophen-2-yl-acrylic acid tert-butyl ester

Database identifiers

PubChem CID
67205867

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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