Methyl 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
Basic information
- CAS
1638764-31-4- Standard SMILES
COC(=O)c1ccc2c(c1)N(C)C(=O)C2- InChIKey
ABPZGJANFKCPRT-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- Methyl 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
- IUPAC
- methyl 1-methyl-2-oxo-3H-indole-6-carboxylate
- English name
- methyl 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
1638764-31-4Methyl 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylateMethyl 1-methyl-2-oxo-3H-indole-6-carboxylateMFCD27987277Methyl 1-methyl-2-oxoindoline-6-carboxylate1H-Indole-6-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-, methyl esterorb3181534SCHEMBL22757174DTXSID501153605AKOS030628668SB17619AS-53236
Show more names
1-Methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl estermethyl 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylate - [M21237]
SY099610Methyl1-methyl-2-oxoindoline-6-carboxylateCS-0011491methyl 1-methyl-2-oxo-indoline-6-carboxylateP16232F517241
Database identifiers
- CAS
1638764-31-4- PubChem CID
- 124706356
- DTXSID
DTXSID501153605
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 442.7 · 442.7±45.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -0.97 · -0.97±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Related reactions
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Compound notes
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