2-Ethyl-3-carboxy-benzo[b]thiophene

HCID 21455089
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Basic information

CAS
58625-27-7
Standard SMILES
CCc1sc2ccccc2c1C(=O)O
InChIKey
SQMVIFKMEHZNMI-UHFFFAOYSA-N
Molecular formula
C11H10O2S
Average molar mass
206.26 g/mol
Monoisotopic mass
206.04015073

Names & identifiers

Preferred name
2-Ethyl-3-carboxy-benzo[b]thiophene
IUPAC
2-ethyl-1-benzothiophene-3-carboxylic acid

Names & synonyms

58625-27-72-ethyl-1-benzothiophene-3-carboxylic acidSQMVIFKMEHZNMI-UHFFFAOYSA-N2-ethyl-3-carboxy-benzo[b]thiophene

Database identifiers

CAS
58625-27-7
PubChem CID
21455089
EC Number
190-689-5

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
65.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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