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Name |
2-Naphthalenepropanenitrile,b-oxo- |
EINECS | N/A |
CAS No. | 613-57-0 | Density | 1.183 g/cm3 |
PSA | 40.86000 | LogP | 2.93618 |
Solubility | N/A | Melting Point |
127.6-128.2 °C |
Formula | C13H9NO | Boiling Point | 405 °C at 760 mmHg |
Molecular Weight | 195.221 | Flash Point | 198.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(2-Naphthyl)-3-oxopropanenitrile; |
The 2-Naphthalenepropanenitrile,b-oxo-, with the CAS registry number of 613-57-0, is also known as 3-(2-Naphthyl)-3-oxopropanenitrile. Its molecular formula is C13H9NO and molecular weight is 195.2167. What's more, its IUPAC name is 3-Naphthalen-2-yl-3-oxopropanenitrile.
Physical properties about the 2-Naphthalenepropanenitrile,b-oxo- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 40.86 Å2; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 58.66 cm3; (9)Molar Volume: 164.9 cm3; (10)Surface Tension: 52.6 dyne/cm; (11)Density: 1.183 g/cm3; (12)Flash Point: 198.7 °C; (13)Enthalpy of Vaporization: 65.65 kJ/mol; (14)Boiling Point: 405 °C at 760 mmHg; (15)Vapour Pressure: 9.05E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CCC(=O)c2ccc1c(cccc1)c2
(2) InChI: InChI=1/C13H9NO/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7H2
(3) InChIKey: GTEKTBPHQPYBPS-UHFFFAOYAJ