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CAS No.: | 10242-02-1 |
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Name: | 5-METHYL-1H-INDOLE-3-CARBOXYLIC ACID |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H9NO2 |
Molecular Weight: | 175.187 |
Synonyms: | Indole-3-carboxylicacid, 5-methyl- (7CI);5-Methylindole-3-carboxylic acid; |
Density: | 1.34 g/cm3 |
Melting Point: | 202 °C |
Boiling Point: | 421.2 °C at 760 mmHg |
Flash Point: | 208.5 °C |
PSA: | 53.09000 |
LogP: | 2.17450 |
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The 1H-Indole-3-carboxylicacid, 5-methyl- is an organic compound with the formula C10H9NO2. The systematic name of this chemical is 5-methyl-1H-indole-3-carboxylic acid. With the CAS registry number 10242-02-1, it is also named as 5-Methylindole-3-carboxylic acid.
Physical properties about 1H-Indole-3-carboxylicacid, 5-methyl- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 1.07; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.79; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 53.09 Å2; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 50.28 cm3; (14)Molar Volume: 130.6 cm3; (15)Polarizability: 19.93×10-24cm3; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.34 g/cm3; (18)Flash Point: 208.5 °C; (19)Enthalpy of Vaporization: 71.18 kJ/mol; (20)Boiling Point: 421.2 °C at 760 mmHg; (21)Vapour Pressure: 7.58E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1ccc(C)cc12
(2)InChI: InChI=1/C10H9NO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: TZNAHYKFVSHGDA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H9NO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
(5)Std. InChIKey: TZNAHYKFVSHGDA-UHFFFAOYSA-N