Ethyl 1H-indole-1-carboxylate
Basic information
- CAS
13307-67-0- Standard SMILES
CCOC(=O)n1ccc2ccccc21- InChIKey
OEXNQFWEJRSZBW-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- Ethyl 1H-indole-1-carboxylate
- IUPAC
- ethyl indole-1-carboxylate
- English name
- ethyl 1H-indole-1-carboxylate
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21054
Names & synonyms
Ethyl 1H-indole-1-carboxylate13307-67-0EINECS 236-335-6DTXSID10157938NSC 81240RefChem:138505DTXCID3080429236-335-6ethyl indole-1-carboxylateGLJ4AM3CWVN-(Ethoxycarbonyl)indoleIndole-1-carboxylic acid, ethyl ester
Show more names
NSC-81240NSC81240Indole-1-carboxylic acid ethyl ester1-(Carbethoxy)indole1H-indole-1-carboxylic acid ethyl ester1H-Indole-1-carboxylic acid, ethyl esterUNII-GLJ4AM3CWVEthyl 1-indolecarboxylate
Database identifiers
- CAS
13307-67-0- PubChem CID
- 83328
- DTXSID
DTXSID10157938- UNII
- GLJ4AM3CWV
- EC Number
- 236-335-6
- Nikkaji
- J213.828J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- FDA UNII
- 4 AM3CWV · GLJ4AM3CWV
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Related reactions
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Compound notes
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