1H-Indole-3-carboxylic acid, 2-methyl- supplier

Name
2-METHYL-1H-INDOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 63176-44-3
Article Data3
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 174 °C (decomp)
Formula C₁₀H₉NO₂
Boiling Point 410 °C at 760 mmHg
Molecular Weight 175.187
Flash Point 201.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methylindole-3-carboxylic acid;
PSA 53.09000
LogP 2.17450

1H-Indole-3-carboxylic acid, 2-methyl- Specification

The 1H-Indole-3-carboxylic acid, 2-methyl-, with the CAS registry number 63176-44-3, is also known as 2-Methylindole-3-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₉NO₂ and molecular weight is 175.18. What's more, its systematic name is 2-methyl-1H-indole-3-carboxylic acid. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Indole-3-carboxylic acid, 2-methyl- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.35; (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^-24cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 201.8 °C; (20)Enthalpy of Vaporization: 69.83 kJ/mol; (21)Boiling Point: 410 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c1ccccc1nc2C
(2)Std. InChI: InChI=1S/C10H9NO2/c1-6-9(10(12)13)7-4-2-3-5-8(7)11-6/h2-5,11H,1H3,(H,12,13)
(3)Std. InChIKey: BHFYJMNOBRLYSC-UHFFFAOYSA-N

Product Name

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

1H-Indole-3-carboxylic acid, 2-methyl- Specification

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