Chemical Properties of 1H-Indole-2-carboxylic acid, 1-methyl- (CAS 16136-58-6)

InChI

InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)

InChI Key

MAHAMBLNIDMREX-UHFFFAOYSA-N

Formula

C10H9NO2

SMILES

Cn1c(C(=O)O)cc2ccccc21

Molecular Weight¹

175.18

CAS

16136-58-6

Other Names

• Indole-2-carboxylic acid, 1-methyl-
• 1-Methylindole-2-carboxylic acid
• 1-Methyl-1H-indole-2-carboxylic acid
• 1-Methyl-2-indolecarboxylic acid

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1H-Indole-2-carboxylic acid, 1-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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