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29539-03-5

Basic Information
CAS No.: 29539-03-5
Name: 5,6-DIHYDROXYINDOLINE HBR
Article Data: 4
Molecular Structure:
Molecular Structure of 29539-03-5 (5,6-DIHYDROXYINDOLINE HBR)
Formula: C8H9NO2
Molecular Weight: 151.165
Synonyms: 5,6-Indolinediol(7CI,8CI);5,6-Dihydroxyindoline;Leucodopaminechrome;
Density: 1.356 g/cm3
Boiling Point: 378.8 °C at 760 mmHg
Flash Point: 218 °C
PSA: 52.49000
LogP: 2.16190
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Specification

The 1H-Indole-5,6-diol,2,3-dihydro-, with the CAS registry number 29539-03-5, is also known as 5,6-Indolinediol. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16256. Its IUPAC name is called 2,3-dihydro-1H-indole-5,6-diol.

Physical properties of 1H-Indole-5,6-diol,2,3-dihydro-: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.35; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.84; (6)ACD/KOC (pH 5.5): 26.38; (7)ACD/KOC (pH 7.4): 53.65; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.655; (12)Molar Refractivity: 40.92 cm3; (13)Molar Volume: 111.4 cm3; (14)Surface Tension: 64.9 dyne/cm; (15)Density: 1.356 g/cm3; (16)Flash Point: 218 °C; (17)Enthalpy of Vaporization: 65.14 kJ/mol; (18)Boiling Point: 378.8 °C at 760 mmHg; (19)Vapour Pressure: 2.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNC2=CC(=C(C=C21)O)O
(2)InChI: InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2
(3)InChIKey: VGSVNUGKHOVSPK-UHFFFAOYSA-N