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| CAS No.: | 5257-24-9 |
|---|---|
| Name: | 3-METHYL-1H-INDOLE-2-CARBALDEHYDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H9NO |
| Molecular Weight: | 159.188 |
| Synonyms: | Indole-2-carboxaldehyde,3-methyl- (6CI,7CI,8CI);2-Formyl-3-methylindole;3-Methyl-1H-indole-2-carboxaldehyde;3-Methylindole-2-carboxaldehyde;NSC125870; |
| Density: | 1.226g/cm3 |
| Melting Point: | 140-142°C |
| Boiling Point: | 344.2 °C at 760 mmHg |
| Flash Point: | 169.9 °C |
| Hazard Symbols: | Xi |
| PSA: | 32.86000 |
| LogP: | 2.28880 |
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Specification
The 1H-Indole-2-carboxaldehyde,3-methyl-, with CAS registry number 5257-24-9, belongs to the following product categories: (1)Aldehyde; (2)Pyrrole; (3)Pharmacetical. It has the systematic name of 3-methyl-1H-indole-2-carbaldehyde. And the chemical formula of this chemical is C10H9NO.
Physical properties of 1H-Indole-2-carboxaldehyde,3-methyl-: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.698; (8)Molar Refractivity: 50.1 cm3; (9)Molar Volume: 129.8 cm3; (10)Polarizability: 19.86×10-24cm3; (11)Surface Tension: 54.9 dyne/cm; (12)Density: 1.226 g/cm3; (13)Flash Point: 169.9 °C; (14)Enthalpy of Vaporization: 58.82 kJ/mol; (15)Boiling Point: 344.2 °C at 760 mmHg; (16)Vapour Pressure: 6.68E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c(c1ccccc1n2)C
(2)InChI: InChI=1/C10H9NO/c1-7-8-4-2-3-5-9(8)11-10(7)6-12/h2-6,11H,1H3
(3)InChIKey: GHSUORIVDBPKKQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9NO/c1-7-8-4-2-3-5-9(8)11-10(7)6-12/h2-6,11H,1H3
(5)Std. InChIKey: GHSUORIVDBPKKQ-UHFFFAOYSA-N