CAS No.97207-47-1,Meisoindigo Suppliers

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Basic Information

Molecular Structure:
CAS No.:	97207-47-1
Name:	Meisoindigo
Article Data:	11

Formula:	C₁₇H₁₂N₂O₂
Molecular Weight:	276.294
Synonyms:	Dian III;Meisoindigo;N-Methylisoindigotin;Natura-a;
EINECS:	200-256-5
Density:	1.381 g/cm³
Melting Point:	236-237°C
Boiling Point:	482 °C at 760 mmHg
Flash Point:	245.3 °C
PSA:	49.41000
LogP:	2.72890

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Specification

The Meisoindigo with the CAS number 97207-47-1 is also called N-Methylisoindigotin. The IUPAC name is (3E)-1-methyl-3-(2-oxo-1H-indol-3-ylidene)indol-2-one. Its molecular formula is C₁₇H₁₂N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.61; (6)ACD/BCF (pH 7.4): 8.61; (7)ACD/KOC (pH 5.5): 162.48; (8)ACD/KOC (pH 7.4): 162.46; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 77.15 cm³; (15)Molar Volume: 200 cm³; (16)Polarizability: 30.58×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Enthalpy of Vaporization: 74.69 kJ/mol; (19)Vapour Pressure: 1.89×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4Nc1ccccc1/C4=C3/c2ccccc2N(C3=O)C
(2)InChI: InChI=1/C17H12N2O2/c1-19-13-9-5-3-7-11(13)15(17(19)21)14-10-6-2-4-8-12(10)18-16(14)20/h2-9H,1H3,(H,18,20)/b15-14+
(3)InChIKey: QNOCRUSVMMAKSC-CCEZHUSRBC