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2-Methylindol-4-yloxyacetic Acid (HCID 69589397)|Huagongshe
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Compound
2-Methylindol-4-yloxyacetic Acid
HCID
69589397
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
CC(Oc1cccc2[nH]ccc12)C(=O)O
InChIKey
KLNXVTNUUWJNNE-UHFFFAOYSA-N
Molecular formula
C11H11NO3
Average molar mass
205.21 g/mol
Names & identifiers
Preferred name
2-Methylindol-4-yloxyacetic Acid
IUPAC
2-(1H-indol-4-yloxy)propanoic acid
Names & synonyms
SCHEMBL5851174
2-Methylindol-4-yloxyacetic Acid
KLNXVTNUUWJNNE-UHFFFAOYSA-N
Database identifiers
PubChem CID
69589397
Properties
Computed structural properties
XLogP
2
Topological polar surface area
62.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
244
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Related reactions
5 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
11410
As product
uspto-grants-2006_08
HRID
11411
As reactant
uspto-grants-2006_08
HRID
351643
As product
uspto-grants-2004_06
HRID
351644
As reactant
uspto-grants-2004_06
HRID
814312
As product
Test data from https://doi.org/10.1039/C8SC04228D
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Compound notes
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