Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methylindole-3-carboxylic acid |
EINECS | N/A |
CAS No. | 10242-02-1 | Density | 1.34 g/cm3 |
PSA | 53.09000 | LogP | 2.17450 |
Solubility | N/A | Melting Point |
202 °C |
Formula | C10H9NO2 | Boiling Point | 421.2 °C at 760 mmHg |
Molecular Weight | 175.187 | Flash Point | 208.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Indole-3-carboxylicacid, 5-methyl- (7CI);5-Methylindole-3-carboxylic acid; |
Article Data | 10 |
The 1H-Indole-3-carboxylicacid, 5-methyl- is an organic compound with the formula C10H9NO2. The systematic name of this chemical is 5-methyl-1H-indole-3-carboxylic acid. With the CAS registry number 10242-02-1, it is also named as 5-Methylindole-3-carboxylic acid.
Physical properties about 1H-Indole-3-carboxylicacid, 5-methyl- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 1.07; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.79; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.38; (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: 208.5 °C; (19)Enthalpy of Vaporization: 71.18 kJ/mol; (20)Boiling Point: 421.2 °C at 760 mmHg; (21)Vapour Pressure: 7.58E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1ccc(C)cc12
(2)InChI: InChI=1/C10H9NO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: TZNAHYKFVSHGDA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H9NO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
(5)Std. InChIKey: TZNAHYKFVSHGDA-UHFFFAOYSA-N