1H-Indole-5-carboxylicacid, 2,3-dimethyl- supplier

Name
2,3-DIMETHYL-1H-INDOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 14844-73-6
Article Data13
CAS DataBase
Density 1.287 g/cm³;
Solubility
Melting Point 239-241.5 °C
Formula C₁₁H₁₁NO₂
Boiling Point 424.6 °C at 760 mmHg
Molecular Weight 189.214
Flash Point 210.6 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
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)
PSA 53.09000
LogP 2.48290

1H-Indole-5-carboxylicacid, 2,3-dimethyl- 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

Product Name

2,3-DIMETHYL-1H-INDOLE-5-CARBOXYLIC ACID

1H-Indole-5-carboxylicacid, 2,3-dimethyl- Specification

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