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1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-(3-methylphenyl)-

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Name

1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-(3-methylphenyl)-

EINECS
CAS No. 423749-16-0 Density 1.03 g/cm3
Solubility Melting Point
Formula C14H15NO Boiling Point 364.1 °C at 760 mmHg
Molecular Weight 213.28 Flash Point 174 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 423749-16-0 (1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-(3-methylphenyl)-) Hazard Symbols
Synonyms

2,5-Dimethyl-1-m-tolyl-1H-pyrrole-3-carbaldehyde;2,5-Dimethyl-1-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde;

 

1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-(3-methylphenyl)- Specification

The 1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-(3-methylphenyl)-, with the CAS registry number 423749-16-0, is also known as 2,5-Dimethyl-1-m-tolyl-1H-pyrrole-3-carbaldehyde. This chemical's molecular formula is C14H15NO and molecular weight is 213.28. What's more, its systematic name is 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde

Physical properties of 1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-(3-methylphenyl)- are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 66.21 cm3; (9)Molar Volume: 206.4 cm3; (10)Polarizability: 26.25×10-24 cm3; (11)Surface Tension: 35.1 dyne/cm; (12)Density: 1.03 g/cm3; (13)Flash Point: 174 °C; (14)Enthalpy of Vaporization: 61.02 kJ/mol; (15)Boiling Point: 364.1 °C at 760 mmHg; (16)Vapour Pressure: 1.73E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=Cc2c(n(c1cccc(c1)C)c(c2)C)C
(2)InChI: InChI=1/C14H15NO/c1-10-5-4-6-14(7-10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3
(3)InChIKey: FKEZLVYJTIRCEZ-UHFFFAOYAF

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