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Cas Database

Name	1-(4-Methyl-1H-pyrrol-3-yl)ethanone	EINECS	N/A
CAS No.	18818-30-9	Density	1.065 g/cm³
PSA	32.86000	LogP	1.52570
Solubility	N/A	Melting Point	117 °C
Formula	C₇H₉NO	Boiling Point	240.6 °C at 760 mmHg
Molecular Weight	123.155	Flash Point	105.4 °C
Transport Information	N/A	Appearance	colorless transparent liquid or white solid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Ketone,methyl 4-methylpyrrol-3-yl (7CI,8CI);3-Acetyl-4-methylpyrrole;Desoxyverrucarin E;	Article Data	10

1-(4-Methyl-1H-pyrrol-3-yl)ethanone 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

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