CAS No.18791-20-3,1H-Indole-2-carboxylic acid, 2,3-dihydro-5,6-dihydroxy- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18791-20-3
Name:	1H-Indole-2-carboxylic acid, 2,3-dihydro-5,6-dihydroxy-

Formula:	C₉H₉NO₄
Molecular Weight:	195.17
Synonyms:	2,3-Dihydro-5,6-dihydroxy-1H-indole-2-carboxylic acid;
Density:	1.578 g/cm³
Boiling Point:	534.242 °C at 760 mmHg
Flash Point:	276.9 °C

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Specification

The 5,6-Dihydroxy-2-indolinecarboxylic acid, with the CAS registry number 18791-20-3, is also known as 2,3-Dihydro-5,6-dihydroxy-1H-indole-2-carboxylic acid. This chemical's molecular formula is C₉H₉NO₄ and molecular weight is 195.17. What's more, its systematic name is 5,6-Dihydroxy-2-indolinecarboxylic acid.

Physical properties of 5,6-Dihydroxy-2-indolinecarboxylic acid are: (1)ACD/LogP: -0.031; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -3.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 89.79 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 47.034 cm³; (15)Molar Volume: 123.666 cm³; (16)Polarizability: 18.646×10^-24cm³; (17)Surface Tension: 81.3 dyne/cm; (18)Density: 1.578 g/cm³; (19)Flash Point: 276.9 °C; (20)Enthalpy of Vaporization: 85.3 kJ/mol; (21)Boiling Point: 534.242 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2Nc1cc(O)c(O)cc1C2
(2)Std. InChI: InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)
(3)Std. InChIKey: JDWYRSDDJVCWPB-UHFFFAOYSA-N