1,2-Dimethylindole-3-carboxylic acid supplier

Name
1,2-DIMETHYLINDOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 20357-15-7
Article Data9
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 200-202
Formula C₁₁H₁₁NO₂
Boiling Point 393.1 °C at 760 mmHg
Molecular Weight 189.21
Flash Point 191.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Indole-3-carboxylicacid, 1,2-dimethyl- (8CI);1,2-Dimethyl-1H-indole-3-carboxylic acid;1,2-Dimethylindole-3-carboxylic acid;
PSA 42.23000
LogP 2.18490

1,2-Dimethylindole-3-carboxylic acid Specification

The 1,2-Dimethylindole-3-carboxylic acid, with the cas registry number 20357-15-7, has the systematic name of 1,2-dimethyl-1H-indole-3-carboxylic acid. It is a kind of irritant chemical, therefore, you should be cautious while you are dealing with it. The chemical belongs to the category of Indole, and its molecular formula is C₁₁H₁₁NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1.4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.99; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 53.42 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 21.18×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 191.5 °C; (20)Enthalpy of Vaporization: 67.81 kJ/mol; (21)Boiling Point: 393.1 °C at 760 mmHg; (22)Vapour Pressure: 6.95E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c2c1ccccc1n(c2C)C
(2)InChI: InChI=1/C11H11NO2/c1-7-10(11(13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3,(H,13,14)
(3)InChIKey: XYRXQPDMBJNYIU-UHFFFAOYAJ

Product Name

1,2-DIMETHYLINDOLE-3-CARBOXYLIC ACID

1,2-Dimethylindole-3-carboxylic acid Specification

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