Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Methylindole-3-carboxylic aicd |
EINECS | N/A |
CAS No. | 30448-16-9 | Density | 1.34 g/cm3 |
PSA | 53.09000 | LogP | 2.17450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9NO2 | Boiling Point | 413.3 °C at 760 mmHg |
Molecular Weight | 175.187 | Flash Point | 203.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-indole-3-carboxylic acid, 7-methyl-; |
Article Data | 12 |
The 7-Methyl-1H-indole-3-carboxylic acid, with the CAS registry number 30448-16-9, is also called 1H-indole-3-carboxylic acid, 7-methyl-. It belongs to the product category of Indole. And the molecular formula of the chemical is C10H9NO2.
The characteristics of 7-Methyl-1H-indole-3-carboxylic acid are as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.81; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.61; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.09 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 50.28 cm3; (15)Molar Volume: 130.6 cm3; (16)Polarizability: 19.93×10-24cm3; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 203.8 °C; (20)Enthalpy of Vaporization: 70.23 kJ/mol; (21)Boiling Point: 413.3 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c2cnc1c(C)cccc12
(2)InChI: InChI=1/C10H9NO2/c1-6-3-2-4-7-8(10(12)13)5-11-9(6)7/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: SRYCADDCUWPWAE-UHFFFAOYAZ