Basic information
- CAS
864427-16-7- Standard SMILES
Cc1cc(O)cc2c1ccn2CC(=O)OC(C)(C)C- InChIKey
ZDKOQULFFDXIHI-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- (6-Hydroxy-4-methyl-indol-1-yl)-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-(6-hydroxy-4-methylindol-1-yl)acetate
Names & synonyms
SCHEMBL5016775ZDKOQULFFDXIHI-UHFFFAOYSA-NDTXSID901200907tert-Butyl (6-hydroxy-4-methyl-1H-indol-1-yl)acetate1,1-Dimethylethyl 6-hydroxy-4-methyl-1H-indole-1-acetate(6-Hydroxy-4-methyl-indol-1-yl)-acetic acid tert-butyl ester864427-16-7
Database identifiers
- CAS
864427-16-7- PubChem CID
- 69280225
- DTXSID
DTXSID901200907
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
4 records
Compound notes
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