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CAS No.: | 18859-28-4 |
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Name: | 4-(2-OXOPROPOXY)BENZONITRILE |
Molecular Structure: | |
Formula: | C10H9NO2 |
Molecular Weight: | 175.187 |
Synonyms: | Benzonitrile,p-(acetonyloxy)- (8CI);4-(2-Oxopropoxy)benzonitrile;NSC 211911; |
Density: | 1.14 g/cm3 |
Boiling Point: | 328.1 °C at 760mmHg |
Flash Point: | 142.8 °C |
PSA: | 50.09000 |
LogP: | 1.52608 |
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The Benzonitrile,4-(2-oxopropoxy)- is an organic compound with the molecular formula C10H9NO2. Its CAS registry number is 18859-28-4. The IUPAC name of this chemical is called 4-(2-Oxopropoxy)benzonitrile. What's more, the molecular weight of this chemical is 175.18.
Physical properties about Benzonitrile,4-(2-oxopropoxy)- are: (1)ACD/LogP: 0.78; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 50.09 Å2; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 47.06 cm3; (9)Molar Volume: 152.6 cm3; (10)Polarizability: 18.65×10-24 cm3; (11)Surface Tension: 45.7 dyne/cm; (12)Density: 1.14 g/cm3; (13)Flash Point: 142.8 °C; (14)Enthalpy of Vaporization: 57.04 kJ/mol; (15)Boiling Point: 328.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000194 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(OCC(=O)C)cc1
(2) InChI: InChI=1/C10H9NO2/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3
(3) InChIKey: ZMBPGSPIFXRUCT-UHFFFAOYAN