Ethanone,1-(4-methoxyphenyl)-2-(3-pyridinyl)- supplier

Name
1-(4-METHOXYPHENYL)-2-PYRIDIN-3-YL-ETHANONE
EINECS
CAS No. 52700-25-1
Article Data8
CAS DataBase
Density 1.142 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃NO₂
Boiling Point 403.2 °C at 760 mmHg
Molecular Weight 227.263
Flash Point 197.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4'-Methoxy-a-(3-pyridyl)acetophenone;NSC42683;
PSA 39.19000
LogP 2.51560

Ethanone,1-(4-methoxyphenyl)-2-(3-pyridinyl)- 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

Product Name

1-(4-METHOXYPHENYL)-2-PYRIDIN-3-YL-ETHANONE

Ethanone,1-(4-methoxyphenyl)-2-(3-pyridinyl)- Specification

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