CAS No.50536-49-7,4,5-DIMETHOXY-1H-INDOLE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50536-49-7
Name:	4,5-DIMETHOXY-1H-INDOLE-2-CARBOXYLIC ACID
Article Data:	2

Formula:	C₁₁H₁₁NO₄
Molecular Weight:	221.21
Synonyms:	4,5-Dimethoxyindole-2-carboxylicacid;TIMTEC-BB SBB011458;AKOS JY2083483;
Density:	1.362 g/cm³
Boiling Point:	456.2 °C at 760 mmHg
Flash Point:	229.7 °C
Hazard Symbols:	Xi

Total:12 Page 1 of 1 1

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Specification

The CAS register number of 1H-Indole-2-carboxylicacid, 4,5-dimethoxy- is 50536-49-7. It also can be called as 4,5-Dimethoxyindole-2-carboxylicacid and the systematic name about this chemical is 4,5-dimethoxy-1H-indole-2-carboxylic acid. The molecular formula about this chemical is C₁₁H₁₁NO₄ and the molecular weight is 221.21. This chemical may cause inflammation to the skin or other mucous membranes. The hazard class of this chemical is irritant.

Physical properties about 1H-Indole-2-carboxylicacid, 4,5-dimethoxy- are: (1)ACD/LogP: 2.05; (2)ACD/BCF (pH 5.5): 1.34; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 19.61; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 49.69 Å²; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 58.81 cm³; (12)Molar Volume: 162.4 cm³; (13)Polarizability: 23.31x10^-24cm³; (14)Surface Tension: 56.9 dyne/cm; (15)Density: 1.362 g/cm³; (16)Flash Point: 229.7 °C; (17)Enthalpy of Vaporization: 75.46 kJ/mol; (18)Boiling Point: 456.2 °C at 760 mmHg; (19)Vapour Pressure: 4.08E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1c(ccc(OC)c1OC)n2
(2)InChI: InChI=1/C11H11NO4/c1-15-9-4-3-7-6(10(9)16-2)5-8(12-7)11(13)14/h3-5,12H,1-2H3,(H,13,14)
(3)InChIKey: OJLHCDSLZDJBKE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H11NO4/c1-15-9-4-3-7-6(10(9)16-2)5-8(12-7)11(13)14/h3-5,12H,1-2H3,(H,13,14)
(5)Std. InChIKey: OJLHCDSLZDJBKE-UHFFFAOYSA-N