1H-Indole-4-carboxylicacid, 1-methyl- supplier

Name
1-METHYL-1H-INDOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 90924-06-4
Article Data5
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 243-245°C
Formula C₁₀H₉NO₂
Boiling Point 389 °C at 760 mmHg
Molecular Weight 175.187
Flash Point 189 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Indole-4-carboxylicacid, 1-methyl- (7CI);1-Methyl-1H-indole-4-carboxylic acid;1-Methylindole-4-carboxylic acid;
PSA 42.23000
LogP 1.87650

1H-Indole-4-carboxylicacid, 1-methyl- Specification

This chemical is called 1H-Indole-4-carboxylicacid, 1-methyl-, and its systematic name is 1-methyl-1H-indole-4-carboxylic acid. With the molecular formula of C₁₀H₉NO₂, its molecular weight is 175.18. The CAS registry number of this chemical is 90924-06-4.

Other characteristics of the 1H-Indole-4-carboxylicacid, 1-methyl- can be summarised as followings: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.95; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 42.23 Å²; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 49 cm³; (14)Molar Volume: 140.9 cm³; (15)Polarizability: 19.42×10^-24cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.24 g/cm³; (18)Flash Point: 189 °C; (19)Enthalpy of Vaporization: 67.32 kJ/mol; (20)Boiling Point: 389 °C at 760 mmHg; (21)Vapour Pressure: 9.54E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c2cccc1c2ccn1C
2.InChI: InChI=1/C10H9NO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-6H,1H3,(H,12,13)
3.InChIKey: FUPJJUHCLDXVGX-UHFFFAOYAF

Product Name

1-METHYL-1H-INDOLE-4-CARBOXYLIC ACID

1H-Indole-4-carboxylicacid, 1-methyl- Specification

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