Molecule structure of 6-Methoxyindole-2-carboxylic acid (CAS NO.16732-73-3):
IUPAC Name: 6-Methoxy-1H-indole-2-carboxylic acid
Molecular Formula: C10H9NO3
Molecular Weight: 191.1834 g/mol
Density: 1.381 g/cm3
Boiling Point: 447.6 °C at 760 mmHg
Flash Point: 224.5 °C
Index of Refraction: 1.677
Molar Refractivity: 52.13 cm3
Molar Volume: 138.4 cm3
Surface Tension: 62.7 dyne/cm
Enthalpy of Vaporization: 74.4 kJ/mol
Vapour Pressure: 8.54E-09 mmHg at 25 °C
XLogP3: 2.3
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 5
Exact Mass: 191.058243
MonoIsotopic Mass: 191.058243
Topological Polar Surface Area: 62.3
Heavy Atom Count: 14
Canonical SMILES: COC1=CC2=C(C=C1)C=C(N2)C(=O)O
InChI: InChI=1S/C10H9NO3/c1-14-7-3-2-6-4-9(10(12)13)11-8(6)5-7/h2-5,11H,1H3,(H,12,13)
InChIKey: XNBGANWAZJWOHS-UHFFFAOYSA-N
Product Categories of 6-Methoxyindole-2-carboxylic acid (CAS NO.16732-73-3): Indole/indoline/oxindole; Indole and Indoline; Indole;Indoles; Boronic Acid; Heterocyclic Compounds
Hazard Codes: Xi
HazardClass: IRRITANT
6-Methoxyindole-2-carboxylic acid (CAS NO.16732-73-3) is also named as 1H-indole-2-carboxylic acid, 6-methoxy- ; 6-Methoxy-1H-indole-2-carboxylic acid ; Indole-2-carboxylic acid, 6-methoxy- ; Methyl 6-bromo-1H-indole-2-carboxylate .
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