5-Methoxy-1-methyl-1H-indole-2-carboxylic acid supplier

Name
5-Methoxy-1-methyl-1H-indole-2-carboxylic acid
EINECS
CAS No. 59908-54-2
Article Data9
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 216 °C
Formula C₁₁H₁₁NO₃
Boiling Point 422.3 °C at 760 mmHg
Molecular Weight 205.213
Flash Point 209.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Indole-2-carboxylic acid, 5-methoxy-1-methyl-;
PSA 51.46000
LogP 1.88510

5-Methoxy-1-methyl-1H-indole-2-carboxylic acid Specification

The 5-Methoxy-1-methyl-1H-indole-2-carboxylic acid, with the CAS registry number 59908-54-2, is also known as 1H-indole-2-carboxylic acid, 5-methoxy-1-methyl-. Its molecular formula is C₁₁H₁₁NO₃and its molecular weight is 205.21. Additionally, its IUPAC name is 5-methoxy-1-methylindole-2-carboxylic acid.

Other characteristics of the 5-Methoxy-1-methyl-1H-indole-2-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 54.81 cm³; (15)Molar Volume: 162.7 cm³; (16)Polarizability: 21.73×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 209.2 °C; (20)Enthalpy of Vaporization: 71.32 kJ/mol; (21)Boiling Point: 422.3 °C at 760 mmHg; (22)Vapour Pressure: 6.91E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2cc1cc(OC)ccc1n2C
2.InChI: InChI=1/C11H11NO3/c1-12-9-4-3-8(15-2)5-7(9)6-10(12)11(13)14/h3-6H,1-2H3,(H,13,14)
3.InChIKey: PLXRUBZTKAYNKQ-UHFFFAOYAX

Product Name

5-Methoxy-1-methyl-1H-indole-2-carboxylic acid

5-Methoxy-1-methyl-1H-indole-2-carboxylic acid Specification

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