CAS No.30448-16-9,7-METHYLINDOLE-3-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30448-16-9
Name:	7-METHYLINDOLE-3-CARBOXYLIC ACID
Article Data:	12

Formula:	C₁₀H₉NO₂
Molecular Weight:	175.187
Synonyms:	1H-indole-3-carboxylic acid, 7-methyl-;
Density:	1.34 g/cm³
Boiling Point:	413.3 °C at 760 mmHg
Flash Point:	203.8 °C
PSA:	53.09000
LogP:	2.17450

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Specification

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