Butyl 1H-indole-3-acetate
Basic information
- CAS
17429-10-6- Standard SMILES
CCCCOC(=O)Cc1c[nH]c2ccccc12- InChIKey
GRFMAWCPVKWLFE-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- Butyl 1H-indole-3-acetate
- IUPAC
- butyl 2-(1H-indol-3-yl)acetate
- English name
- butyl 1H-indole-3-acetate
- Molecular formula
- C14H17NO2
- Molecular weight
- 231.29028
Names & synonyms
Butyl 1H-indole-3-acetate17429-10-6EINECS 241-455-7DTXSID70169810RefChem:122200DTXCID7092301241-455-7butyl 2-(1H-indol-3-yl)acetateSCHEMBL8766818SCHEMBL8766823Butyl (1H-indol-3-yl)acetateGRFMAWCPVKWLFE-UHFFFAOYSA-N
Show more names
indol-3-yl-acetic acid butyl ester1H-Indole-3-acetic acid butyl ester
NS00025731
Database identifiers
- CAS
17429-10-6- PubChem CID
- 87114
- DTXSID
DTXSID70169810- EC Number
- 241-455-7
- Nikkaji
- J287.050I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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