alpha-Hydroxy-alpha-methyl-1H-indole-3-acetic acid
Basic information
- CAS
71932-22-4- Standard SMILES
CC(O)(C(=O)O)c1c[nH]c2ccccc12- InChIKey
XJHCBGWCPZAWAH-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- alpha-Hydroxy-alpha-methyl-1H-indole-3-acetic acid
- IUPAC
- 2-hydroxy-2-(1H-indol-3-yl)propanoic acid
- English name
- 1H-Indole-3-aceticacid,-alpha--hydroxy--alpha--methyl-(9CI)
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.20994
Names & synonyms
71932-22-4RefChem:318418alpha-Hydroxy-alpha-methyl-1H-indole-3-acetic acidindol-3-yllactic acidSCHEMBL5174863SCHEMBL6288556DTXSID0012658752-hydroxy-2-(1H-indol-3-yl)propanoic acidI+/--Hydroxy-I+/--methyl-1H-indole-3-acetic acid1H-Indole-3-acetic acid, α-hydroxy-α-methyl-1H-Indole-3-aceticacid,-alpha--hydroxy--alpha--methyl-(9CI)
Database identifiers
- CAS
71932-22-4- PubChem CID
- 20157985
- DTXSID
DTXSID001265875
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 472.6 · 472.6±30.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.25(Predicted)
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Compound notes
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