Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Methyl-1H-indole-3-carboxylic acid |
EINECS | N/A |
CAS No. | 209920-43-4 | Density | 1.34 g/cm3 |
PSA | 53.09000 | LogP | 2.17450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9NO2 | Boiling Point | 411.5 °C at 760 mmHg |
Molecular Weight | 175.187 | Flash Point | 202.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Methylindole-3-carboxylic acid; |
Article Data | 7 |
The 6-Methyl-1H-indole-3-carboxylic acid, with the CAS registry number 209920-43-4, is also known as 6-Methylindole-3-carboxylic acid. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18. What's more, its IUPAC name is 6-methyl-1H-indole-3-carboxylic acid.
Physical properties of 6-Methyl-1H-indole-3-carboxylic acid are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/BCF (pH 5.5): 1.64; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.65; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 53.09 Å2; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 50.28 cm3; (14)Molar Volume: 130.6 cm3; (15)Polarizability: 19.93×10-24cm3; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.34 g/cm3; (18)Flash Point: 202.7 °C; (19)Enthalpy of Vaporization: 70.01 kJ/mol; (20)Boiling Point: 411.5 °C at 760 mmHg; (21)Vapour Pressure: 1.65E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1cc(C)ccc12
(2)Std. InChI: InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)
(3)Std. InChIKey: PHHZCIOPSFQASN-UHFFFAOYSA-N