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Basic Information
CAS No.: 39982-49-5
Name: 7-Hydroxymethyl quinoline
Molecular Structure:
Molecular Structure of 39982-49-5 (7-Hydroxymethyl quinoline)
Formula: C10H9NO
Molecular Weight: 159.188
Synonyms: NSC 136486;Quinolin-7-ylmethanol;quinolin-7-ylmethanol;
Density: 1.218 g/cm3
Boiling Point: 334.8 °C at 760 mmHg
Flash Point: 156.3 °C
PSA: 33.12000
LogP: 1.72710
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Specification

The 7-Quinolinemethanol, with the CAS registry number 39982-49-5, is also known as Quinolin-7-yl-methanol. This chemical's molecular formula is C10H9NO and molecular weight is 159.18. What's more, its systematic name is quinolin-7-ylmethanol.

Physical properties of 7-Quinolinemethanol are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.48; (6)ACD/BCF (pH 7.4): 2.84; (7)ACD/KOC (pH 5.5): 64.23; (8)ACD/KOC (pH 7.4): 73.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 48.63 cm3; (15)Molar Volume: 130.5 cm3; (16)Polarizability: 19.28×10-24 cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 156.3 °C; (20)Enthalpy of Vaporization: 60.99 kJ/mol; (21)Boiling Point: 334.8 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: OCc1cc2ncccc2cc1
(2)InChI: InChI=1/C10H9NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-6,12H,7H2
(3)InChIKey: RDBBFCMDRBOXIG-UHFFFAOYAG