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52700-25-1

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Basic Information
CAS No.: 52700-25-1
Name: 1-(4-METHOXYPHENYL)-2-PYRIDIN-3-YL-ETHANONE
Article Data: 8
Molecular Structure:
Molecular Structure of 52700-25-1 (1-(4-METHOXYPHENYL)-2-PYRIDIN-3-YL-ETHANONE)
Formula: C14H13NO2
Molecular Weight: 227.263
Synonyms: 4'-Methoxy-a-(3-pyridyl)acetophenone;NSC42683;
Density: 1.142 g/cm3
Boiling Point: 403.2 °C at 760 mmHg
Flash Point: 197.7 °C
PSA: 39.19000
LogP: 2.51560
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Specification

The Ethanone,1-(4-methoxyphenyl)-2-(3-pyridinyl)-, with the CAS registry number 52700-25-1, is also known as 4'-Methoxy-a-(3-pyridyl)acetophenone. This chemical's molecular formula is C14H13NO2 and molecular weight is 227.2585. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Methoxyphenyl)-2-pyridin-3-ylethanone.

Physical properties about Ethanone,1-(4-methoxyphenyl)-2-(3-pyridinyl)-: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 65.53 cm3; (9)Molar Volume: 198.8 cm3; (10)Surface Tension: 45.1 dyne/cm; (11)Density: 1.142 g/cm3; (12)Flash Point: 197.7 °C; (13)Enthalpy of Vaporization: 65.45 kJ/mol; (14)Boiling Point: 403.2 °C at 760 mmHg; (15)Vapour Pressure: 1.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(OC)cc1)Cc2cccnc2
(2) InChI: InChI=1/C14H13NO2/c1-17-13-6-4-12(5-7-13)14(16)9-11-3-2-8-15-10-11/h2-8,10H,9H2,1H3
(3) InChIKey: NDBVHXUNBUTGKJ-UHFFFAOYAJ