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Basic Information
CAS No.: 18818-30-9
Name: 1-(4-Methyl-1H-pyrrol-3-yl)ethanone
Molecular Structure:
Molecular Structure of 18818-30-9 (1-(4-Methyl-1H-pyrrol-3-yl)ethanone)
Formula: C7H9NO
Molecular Weight: 123.155
Synonyms: Ketone,methyl 4-methylpyrrol-3-yl (7CI,8CI);3-Acetyl-4-methylpyrrole;Desoxyverrucarin E;
Density: 1.065 g/cm3
Melting Point: 117 °C
Boiling Point: 240.6 °C at 760 mmHg
Flash Point: 105.4 °C
Appearance: colorless transparent liquid or white solid
PSA: 32.86000
LogP: 1.52570
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Specification

The 1-(4-Methyl-1H-pyrrol-3-yl)ethanone with the CAS number 18818-30-9 is also called Ethanone,1-(4-methyl-1H-pyrrol-3-yl)-. Its molecular formula is C7H9NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-(4-Methyl-1H-pyrrol-3-yl)ethanone are: (1)ACD/LogP: 0.66; (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: 1.527; (8)Molar Refractivity: 35.53 cm3; (9)Molar Volume: 115.5 cm3; (10)Polarizability: 14.08×10-24cm3; (11)Surface Tension: 39.4 dyne/cm; (12)Enthalpy of Vaporization: 47.76 kJ/mol; (13)Vapour Pressure: 0.0375 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cnc1)C)C
(2)InChI: InChI=1/C7H9NO/c1-5-3-8-4-7(5)6(2)9/h3-4,8H,1-2H3
(3)InChIKey: CBTWAEGIWMBHTC-UHFFFAOYAC