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5-Cyano-3-methyl-2-benzofurancarboxylic acid

HCID 21844527
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Basic information

Standard SMILES
Cc1c(C(=O)O)oc2ccc(C#N)cc12
InChIKey
INIGGLKTCYLLMV-UHFFFAOYSA-N
Molecular formula
C11H7NO3
Average molar mass
201.18 g/mol

Names & identifiers

Preferred name
5-Cyano-3-methyl-2-benzofurancarboxylic acid
IUPAC
5-cyano-3-methyl-1-benzofuran-2-carboxylic acid

Names & synonyms

150612-63-8SCHEMBL718543INIGGLKTCYLLMV-UHFFFAOYSA-NDB-0856545-cyano-3-methyl-2-benzofurancarboxylic acid5-cyano-3-methyl-1-benzofuran-2-carboxylic acid

Database identifiers

PubChem CID
21844527

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
74.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
319

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Related reactions

7 records
New reaction record
HRID 952065 reaction equation
HRID 952065As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1232449 reaction equation
HRID 1232449As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1291002 reaction equation
HRID 1291002As reactantuspto-grants-1998_05
HRID 1682663 reaction equation
HRID 1682663As reactantuspto-grants-1997_06
HRID 2091153 reaction equation
HRID 2091153As productuspto-grants-2013_05
HRID 2091154 reaction equation
HRID 2091154As reactantuspto-grants-2013_05
HRID 2151616 reaction equation
HRID 2151616As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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