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7-Methoxybenzo[b]thiophene-4-carbaldehyde

HCID 10679290
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C=O)c2ccsc12
InChIKey
JGNZTPXCNLSVER-UHFFFAOYSA-N
Molecular formula
C10H8O2S
Average molar mass
192.24 g/mol
Monoisotopic mass
192.02450067

Names & identifiers

Preferred name
7-Methoxybenzo[b]thiophene-4-carbaldehyde
IUPAC
7-methoxy-1-benzothiophene-4-carbaldehyde

Names & synonyms

7-methoxybenzo[b]thiophene-4-carbaldehyde202350-63-8SCHEMBL2995013JGNZTPXCNLSVER-UHFFFAOYSA-N

Database identifiers

PubChem CID
10679290
Nikkaji
J916.321B

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
195

Related reactions

6 records
New reaction record
HRID 176444 reaction equation
HRID 176444As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1135037 reaction equation
HRID 1135037As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1537745 reaction equation
HRID 1537745As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1986203 reaction equation
HRID 1986203As productuspto-grants-2009_06
HRID 2060876 reaction equation
HRID 2060876As productuspto-grants-2012_10
HRID 2060877 reaction equation
HRID 2060877As reactantuspto-grants-2012_10

Compound notes

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