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| CAS No.: | 14844-73-6 |
|---|---|
| Name: | 2,3-DIMETHYL-1H-INDOLE-5-CARBOXYLIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C11H11NO2 |
| Molecular Weight: | 189.214 |
| Synonyms: | AURORA 6423;CHEMBRDG-BB 4400276;AKOS BBS-00006707;2,3-DIMETHYL-1H-INDOLE-5-CARBOXYLIC ACID;OTAVA-BB BB7111550327;ZERENEX E/5046008;2,3-Dimethyl-1H-indole-5-carboxylic acid 97%;2,3-dimethyl-1H-indole-5-carboxylic acid(SALTDATA: FREE) |
| Density: | 1.287 g/cm3; |
| Melting Point: | 239-241.5 °C |
| Boiling Point: | 424.6 °C at 760 mmHg |
| Flash Point: | 210.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26 |
| PSA: | 53.09000 |
| LogP: | 2.48290 |
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- Total:18 Page 1 of 1 1
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Specification
The 1H-Indole-5-carboxylicacid, 2,3-dimethyl- has CAS registry number 14844-73-6. This chemical's molecular formula is C11H11NO2 and molecular weight is 189.21. What's more, its IUPAC name is 2,3-dimethyl-1H-indole-5-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-5-carboxylicacid, 2,3-dimethyl- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 16.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 172.61; (8)ACD/KOC (pH 7.4): 3.34; (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: 1.673; (14)Molar Refractivity: 55.1 cm3; (15)Molar Volume: 146.9 cm3; (16)Polarizability: 21.84×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.287 g/cm3; (19)Flash Point: 210.6 °C; (20)Enthalpy of Vaporization: 71.59 kJ/mol; (21)Boiling Point: 424.6 °C at 760 mmHg; (22)Vapour Pressure: 5.77E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc2c(cc1)nc(c2C)C
(2)Std. InChI: InChI=1S/C11H11NO2/c1-6-7(2)12-10-4-3-8(11(13)14)5-9(6)10/h3-5,12H,1-2H3,(H,13,14)
(3)Std. InChIKey: KHJGIMZYCBPOBG-UHFFFAOYSA-N