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Name |
Ethanone,1-[4-(3-pyridinyloxy)phenyl]- |
EINECS | 254-527-8 |
CAS No. | 39572-18-4 | Density | 1.154 g/cm3 |
PSA | 39.19000 | LogP | 3.07650 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H11NO2 | Boiling Point | 357.7 °C at 760 mmHg |
Molecular Weight | 213.236 | Flash Point | 170.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-[4-[(Pyridin-3-yl)oxy]phenyl]ethanone;1-(4-(Pyridin-3-yloxy)phenyl)ethan-1-one;1-[4-(Pyridin-3-yloxy)phenyl]ethanone; |
Article Data | 5 |
The Ethanone,1-[4-(3-pyridinyloxy)phenyl]-, with the CAS registry number 39572-18-4, is also known as 1-(4-(Pyridin-3-yloxy)phenyl)ethan-1-one. Its EINECS number is 254-527-8. This chemical's molecular formula is C13H11NO2 and molecular weight is 213.23. What's more, its systematic name is 1-(4-pyridin-3-yloxyphenyl)ethanone.
Physical properties of Ethanone,1-[4-(3-pyridinyloxy)phenyl]- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 39.56; (6)ACD/BCF (pH 7.4): 40.33; (7)ACD/KOC (pH 5.5): 481.38; (8)ACD/KOC (pH 7.4): 490.8; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 60.81 cm3; (15)Molar Volume: 184.7 cm3; (16)Polarizability: 24.1×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 170.1 °C; (20)Enthalpy of Vaporization: 60.31 kJ/mol; (21)Boiling Point: 357.7 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC2=CN=CC=C2
(2)InChI: InChI=1S/C13H11NO2/c1-10(15)11-4-6-12(7-5-11)16-13-3-2-8-14-9-13/h2-9H,1H3
(3)InChIKey: CLOBDYGKUVCMRD-UHFFFAOYSA-N