CAS No.334952-09-9,2-OXO-2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	334952-09-9
Name:	2-OXO-2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLIC ACID
Article Data:	10

Formula:	C₉H₇NO₃
Molecular Weight:	177.159
Synonyms:	2-oxoindoline-6-carboxylic acid;6-Carboxyoxindole;
Density:	1.433 g/cm³
Boiling Point:	438.1 °C at 760 mmHg
Flash Point:	218.8 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	66.40000
LogP:	1.01740

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Specification

The 1H-Indole-6-carboxylicacid, 2,3-dihydro-2-oxo-, with the CAS registry number 334952-09-9, is also known as 2-Oxoindoline-6-carboxylic acid. It belongs to the product categories of Blocks; Carboxes; Indoles Oxindoles; Pharmacetical; Indoline & Oxindole. This chemical's molecular formula is C₉H₇NO₃ and molecular weight is 177.16. What's more, its systematic name is 2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid.

Physical properties of 1H-Indole-6-carboxylicacid, 2,3-dihydro-2-oxo- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.76; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.634; (12)Molar Refractivity: 44.22 cm³; (13)Molar Volume: 123.5 cm³; (14)Polarizability: 17.53×10^-24cm³; (15)Surface Tension: 61.6 dyne/cm; (16)Density: 1.433 g/cm³; (17)Flash Point: 218.8 °C; (18)Enthalpy of Vaporization: 73.23 kJ/mol; (19)Boiling Point: 438.1 °C at 760 mmHg; (20)Vapour Pressure: 1.89E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2c(c1)NC(=O)C2
(2)Std. InChI: InChI=1S/C9H7NO3/c11-8-4-5-1-2-6(9(12)13)3-7(5)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
(3)Std. InChIKey: IIKVTJWRBSYRSA-UHFFFAOYSA-N