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5466-40-0

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Basic Information
CAS No.: 5466-40-0
Name: 1-(2-FURYL)HEPTAN-1-ONE
Article Data: 7
Molecular Structure:
Molecular Structure of 5466-40-0 (1-(2-FURYL)HEPTAN-1-ONE)
Formula: C11H16O2
Molecular Weight: 180.24
Synonyms: 1-Heptanone,1-(2-furyl)- (6CI);2-Heptanoylfuran;NSC 27363;
Density: 0.967 g/cm3
Boiling Point: 261.7 °C at 760 mmHg
Flash Point: 114.8 °C
PSA: 30.21000
LogP: 3.43270
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Specification

This chemical is called 1-Heptanone,1-(2-furanyl)-, and its systematic name is 1-(furan-2-yl)heptan-1-one. With the molecular formula of C11H16O2, its molecular weight is 180.24. The CAS registry number of the chemical is 5466-40-0. However, this chemical should be sealed in a cool dry place at commom temperature, away from light.

Other characteristics of 1-Heptanone,1-(2-furanyl)- can be summarised as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 30.21 Å2; (7)Index of Refraction: 1.467; (8)Molar Refractivity: 51.74 cm3; (9)Molar Volume: 186.2 cm3; (10)Polarizability: 20.51×10-24cm3; (11)Surface Tension: 32.6 dyne/cm; (12)Density: 0.967 g/cm3; (13)Flash Point: 114.8 °C; (14)Enthalpy of Vaporization: 49.94 kJ/mol; (15)Boiling Point: 261.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0114 mmHg at 25°C. 

When you are using 1-Heptanone,1-(2-furanyl)-, please be cautious about it as the following: The chemical is not harmful to water. Without government permission, don't put the material into the surroundings.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1occc1)CCCCCC
2.InChI: InChI=1/C11H16O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
3.InChIKey: BTNRWSUWLFMXEL-UHFFFAOYAH
4.Std. InChI: InChI=1S/C11H16O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
5.Std. InChIKey: BTNRWSUWLFMXEL-UHFFFAOYSA-N