Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole-6-carboxylicacid, 1-methyl- |
EINECS | N/A |
CAS No. | 202745-73-1 | Density | 1.243 g/cm3 |
PSA | 42.23000 | LogP | 1.87650 |
Solubility | N/A | Melting Point |
197 °C |
Formula | C10H9NO2 | Boiling Point | 388.961 °C at 760 mmHg |
Molecular Weight | 175.187 | Flash Point | 189.037 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Carboxy-1-methyl-1H-indole; |
Article Data | 10 |
The 1H-Indole-6-carboxylicacid, 1-methyl-, with the CAS registry number 202745-73-1, is also known as 6-Carboxy-1-methyl-1H-indole. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18. What's more, its systematic name is 1-methyl-1H-indole-6-carboxylic acid.
Physical properties of 1H-Indole-6-carboxylicacid, 1-methyl- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 42.23 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 49.005 cm3; (14)Molar Volume: 140.968 cm3; (15)Polarizability: 19.427×10-24cm3; (16)Surface Tension: 46.842 dyne/cm; (17)Density: 1.243 g/cm3; (18)Flash Point: 189.037 °C; (19)Enthalpy of Vaporization: 67.316 kJ/mol; (20)Boiling Point: 388.961 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2ccn(C)c2c1
(2)Std. InChI: InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
(3)Std. InChIKey: DJQOGNYSBOIJKE-UHFFFAOYSA-N