2-(Indol-3-ylmethyl)indol-3-ylacetic acid
Basic information
- CAS
68232-56-4- Standard SMILES
O=C(O)Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12- InChIKey
OKSIBGLOGCEKNP-UHFFFAOYSA-N- Molecular formula
- C19H16N2O2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.12117776
Overview
2-(Indol-3-ylmethyl)indol-3-ylacetic acid has been reported in Sulfolobus acidocaldarius with data available.
Names & identifiers
- Preferred name
- 2-(Indol-3-ylmethyl)indol-3-ylacetic acid
- IUPAC
- 2-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]acetic acid
- English name
- 2-Imiac
- Molecular formula
- C19H16N2O2
- Molecular weight
- 304.34
Names & synonyms
2-Imiac2-(Indol-3-ylmethyl)indol-3-ylacetic acid68232-56-4DTXSID40218405RefChem:84756DTXCID201408962-(2-(1H-indol-3-ylmethyl)-1H-indol-3-yl)acetic acid1H-Indole-3-acetic acid, 2-(1H-indol-3-ylmethyl)-SCHEMBL178667802-(indol-3-ylmethyl) indol-3-yl acetic acid{2-[(1H-Indol-3-yl)methyl]-1H-indol-3-yl}acetic acid
Database identifiers
- CAS
68232-56-4- PubChem CID
- 129287
- DTXSID
DTXSID40218405
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 611.7 · 611.7±50.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.30(Predicted)
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Compound notes
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