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Basic Information
CAS No.: 30186-38-0
Name: 1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE
Article Data: 7
Molecular Structure:
Molecular Structure of 30186-38-0 (1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE)
Formula: C12H11NO
Molecular Weight: 185.225
Synonyms: 1-(4-Methylphenyl)pyrrole-2-carboxaldehyde;
Density: 1.05 g/cm3
Boiling Point: 320.2 °C at 760 mmHg
Flash Point: 147.5 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 22.00000
LogP: 2.59820
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Specification

The 1H-Pyrrole-2-carboxaldehyde,1-(4-methylphenyl)-, with the CAS registry number 30186-38-0, is also known as 1-(4-Methylphenyl)pyrrole-2-carboxaldehyde. This chemical's molecular formula is C12H11NO and molecular weight is 185.2218. What's more, its systematic name is called 1-(4-Methylphenyl)-1H-pyrrole-2-carbaldehyde.

Physical properties about 1H-Pyrrole-2-carboxaldehyde,1-(4-methylphenyl)- are: (1)ACD/LogP: 2.96; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.94; (6)ACD/BCF (pH 7.4): 104.94; (7)ACD/KOC (pH 5.5): 973.18; (8)ACD/KOC (pH 7.4): 973.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 57.37 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 22.74×10-24 cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 147.5 °C; (20)Enthalpy of Vaporization: 56.19 kJ/mol; (21)Boiling Point: 320.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000322 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cccn2c1ccc(cc1)C
(2) InChI: InChI=1/C12H11NO/c1-10-4-6-11(7-5-10)13-8-2-3-12(13)9-14/h2-9H,1H3
(3) InChIKey: LASYAEOJPVQNFO-UHFFFAOYAZ