5-Methoxy-3-indolecarboxylic acid supplier

Name
5-Methoxy-3-indolecarboxylic acid
EINECS 224-487-6
CAS No. 10242-01-0
Article Data14
CAS DataBase
Density 1.381 g/cm³
Solubility
Melting Point 172-175 °C
Formula C₁₀H₉NO₃
Boiling Point 447.6 °C at 760 mmHg
Molecular Weight 191.186
Flash Point 224.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Methoxy-3-carboxyindole;Indole-3-carboxylicacid, 5-methoxy- (6CI,8CI);Indolo-3-carboxylic acid, 5-methoxy- (7CI);5-Methoxyindole-3-carboxylic acid;NSC 88877;5-methoxy-1H-indole-3-carboxylic acid;1H-Indole-3-carboxylic acid, 5-methoxy-;5-Methoxyindole-3-carboxylic acid;5-methoxy-1H-indole-3-carboxylic acid;
PSA 62.32000
LogP 1.87470

5-Methoxy-3-indolecarboxylic acid Specification

The 5-Methoxyindole-3-carboxylic acid, with the CAS registry number 10242-01-0, has the systematic name of 5-methoxy-1H-indole-3-carboxylic acid. And the molecular formula of this chemical is C₁₀H₉NO₃. It is a kind of irritant chemcial, and belongs to the product categories of Indoline & Oxindole.

The physical properties of 5-Methoxyindole-3-carboxylic acid are as following: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.09; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 40.46 Å²; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 52.13 cm³; (14)Molar Volume: 138.4 cm³; (15)Polarizability: 20.66×10^-24cm³; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.381 g/cm³; (18)Flash Point: 224.5 °C; (19)Enthalpy of Vaporization: 74.4 kJ/mol; (20)Boiling Point: 447.6 °C at 760 mmHg; (21)Vapour Pressure: 8.54E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c1cc(OC)ccc1nc2
(2)InChI: InChI=1/C10H9NO3/c1-14-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: RVVSEZGJCOAUED-UHFFFAOYAJ

Product Name

5-Methoxy-3-indolecarboxylic acid

5-Methoxy-3-indolecarboxylic acid Specification

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