1-Methoxyindole-3-carboxylic acid
Basic information
- CAS
91913-76-7- Standard SMILES
COn1cc(C(=O)O)c2ccccc21- InChIKey
NYXZLEZAQMDQPX-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Overview
1-Methoxyindole-3-carboxylic acid has been reported in Arabidopsis thaliana and Eutrema japonicum with data available.
Names & identifiers
- Preferred name
- 1-Methoxyindole-3-carboxylic acid
- IUPAC
- 1-methoxyindole-3-carboxylic acid
- English name
- 1-methoxyindole-3-carboxylic acid
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
1-Methoxyindole-3-carboxylic acid91913-76-7DTXSID00238760RefChem:907657DTXCID501612511-methoxy-1h-indole-3-carboxylic acid1H-Indole-3-carboxylic acid, 1-methoxy-1-methoxyindole-3-carboxylicacidorb1683967SCHEMBL22955702HY-N1635TN2551
Show more names
1-METHOXYINDOLE-3-CARBOXYLIC ACI
AKOS006272876FS-8625DB-328962CS-0017296E80470B2703-476550
Database identifiers
- CAS
91913-76-7- PubChem CID
- 124476
- DTXSID
DTXSID00238760- Nikkaji
- J387.624A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Chemistry & industry
Applications
Uses1-Methoxyindole-3-carboxylic acid (compound 5) is synthetic from a phytoalexin nucleophilic substitution reaction selectively at the 2-position[1].
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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