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