-
Name
Meisoindigo
- EINECS 200-256-5
- CAS No. 97207-47-1
- Article Data11
- CAS DataBase
- Density 1.381 g/cm3
- Solubility
- Melting Point 236-237°C
- Formula C17H12N2O2
- Boiling Point 482 °C at 760 mmHg
- Molecular Weight 276.294
- Flash Point 245.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Dian III;Meisoindigo;N-Methylisoindigotin;Natura-a;
- PSA 49.41000
- LogP 2.72890
Meisoindigo 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
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