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154932-75-9

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Basic Information
CAS No.: 154932-75-9
Name: 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
Molecular Structure:
Molecular Structure of 154932-75-9 (2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol)
Formula: C15H15NO
Molecular Weight: 225.2857
Synonyms: 2-(Pyridin-4-ylmethyl)indan-5-ol;
Density: 1.195 g/cm3
Boiling Point: 415.669 °C at 760 mmHg
Flash Point: 205.19 °C
PSA: 33.12000
LogP: 2.74470
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Specification

The 1H-Inden-5-ol,2,3-dihydro-2-(4-pyridinylmethyl)-, with the CAS registry number 154932-75-9, is also known as 2-(Pyridin-4-ylmethyl)indan-5-ol. This chemical's molecular formula is C15H15NO and molecular weight is 225.2857. Its systematic name is called 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol.

Physical properties of 1H-Inden-5-ol,2,3-dihydro-2-(4-pyridinylmethyl)-: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 100; (7)ACD/KOC (pH 5.5): 242; (8)ACD/KOC (pH 7.4): 929; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 67.567 cm3; (14)Molar Volume: 188.479 cm3; (15)Surface Tension: 55.191 dyne/cm; (16)Density: 1.195 g/cm3; (17)Flash Point: 205.19 °C; (18)Enthalpy of Vaporization: 69.474 kJ/mol; (19)Boiling Point: 415.669 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc3c(c1)CC(Cc2ccncc2)C3
(2)InChI: InChI=1/C15H15NO/c17-15-2-1-13-8-12(9-14(13)10-15)7-11-3-5-16-6-4-11/h1-6,10,12,17H,7-9H2
(3)InChIKey: OQVIVKTTYYDAGR-UHFFFAOYAV