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| CAS No.: | 61034-86-4 |
|---|---|
| Name: | [2-(1H-PYRROL-1-YL)PHENYL]METHANOL |
| Molecular Structure: | |
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| Formula: | C11H11NO |
| Molecular Weight: | 173.214 |
| Synonyms: | [2-(1H-PYRROL-1-YL)PHENYL]METHANOL;2-(1H-PYRROL-1-YL)BENZYL ALCOHOL;(2-PYRROL-1-YL-PHENYL)-METHANOL;2-(1H-Pyrrol-1-yl)benzyl alcohol 97%;4-Hydroxy-3-Methyl-1H-quinolin-2-one;[2-(1H-Pyrrol-1-yl)phenyl]methanol 97%;2-(1H-Pyrrol-1-yl)benzyl alcohol, 1-[2-(Hydroxymethyl)phenyl]-1H-pyrrole |
| Density: | 1.07 g/cm3 |
| Melting Point: | 43 °C |
| Boiling Point: | 334.1 °C at 760 mmHg |
| Flash Point: | 155.9 °C |
| PSA: | 25.16000 |
| LogP: | 1.96960 |
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- Total:21 Page 1 of 1 1
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Specification
The Benzenemethanol,2-(1H-pyrrol-1-yl)-, with CAS registry number 61034-86-4, has the systematic name of [2-(1H-pyrrol-1-yl)phenyl]methanol. Besides this, it is also called (2-Pyrrol-1-yl-phenyl)-methanol. And the chemical formula of this chemical is C11H11NO.
Physical properties of Benzenemethanol,2-(1H-pyrrol-1-yl)-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.26; (6)ACD/BCF (pH 7.4): 16.26; (7)ACD/KOC (pH 5.5): 256.2; (8)ACD/KOC (pH 7.4): 256.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 52.94 cm3; (15)Molar Volume: 160.6 cm3; (16)Polarizability: 20.99×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 155.9 °C; (20)Enthalpy of Vaporization: 60.91 kJ/mol; (21)Boiling Point: 334.1 °C at 760 mmHg; (22)Vapour Pressure: 5.16E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccccc1n2cccc2
(2)InChI: InChI=1/C11H11NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-8,13H,9H2
(3)InChIKey: PMFMGYSILUCETA-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H11NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-8,13H,9H2
(5)Std. InChIKey: PMFMGYSILUCETA-UHFFFAOYSA-N