1H-Indole-2-carboxylicacid, 3-methyl- supplier

Name
3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 10590-73-5
Article Data7
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 164 °C(Solv: acetic acid (64-19-7))
Formula C₁₀H₉NO₂
Boiling Point 409.9 °C at 760 mmHg
Molecular Weight 175.187
Flash Point 201.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Indole-2-carboxylicacid, 3-methyl- (6CI,7CI,8CI);3-Methyl-1H-indole-2-carboxylic acid;3-Methyl-2-indolecarboxylic acid;
PSA 53.09000
LogP 2.17450

1H-Indole-2-carboxylicacid, 3-methyl- Specification

The 1H-Indole-2-carboxylicacid, 3-methyl-, with the CAS registry number 10590-73-5, is also known as 3-Methyl-2-indolic acid. It belongs to the product categories of Pyrrole; Pharmacetical. This chemical's molecular formula is C₁₀H₉NO₂ and molecular weight is 175.18. What's more, its systematic name is 3-Methyl-1H-indole-2-carboxylic acid.

Physical properties of 1H-Indole-2-carboxylicacid, 3-methyl- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.04; (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: 31.23 Å²; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 50.28 cm³; (15)Molar Volume: 130.6 cm³; (16)Polarizability: 19.93×10^-24 cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 201.7 °C; (20)Enthalpy of Vaporization: 69.82 kJ/mol; (21)Boiling Point: 409.9 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c(c1ccccc1n2)C
(2)InChI: InChI=1/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: NCXGWFIXUJHVLI-UHFFFAOYAJ

Product Name

3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID

1H-Indole-2-carboxylicacid, 3-methyl- Specification

Related Products

Hot Products