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3194-17-0

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Basic Information
CAS No.: 3194-17-0
Name: 1-(2-FURYL)PENTAN-1-ONE
Article Data: 21
Molecular Structure:
Molecular Structure of 3194-17-0 (1-(2-FURYL)PENTAN-1-ONE)
Formula: C9H12O2
Molecular Weight: 152.193
Synonyms: 1-Pentanone,1-(2-furyl)- (6CI,7CI,8CI);1-(2-Furanyl)-1-pentanone;2-Pentanoylfuran;2-Valerylfuran;Butyl 2-furyl ketone;NSC 27359;
Density: 0.992 g/cm3
Boiling Point: 224.8 °C at 760 mmHg
Flash Point: 97 °C
Hazard Symbols: Xn
Risk Codes: 22-43
Safety: 36/37
PSA: 30.21000
LogP: 2.65250
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Specification

The CAS register number of 1-Pentanone,1-(2-furanyl)- is 3194-17-0. It also can be called as 2-Valerylfuran and the systematic name about this chemical is 1-(furan-2-yl)pentan-1-one. The molecular formula about this chemical is C9H12O2 and the molecular weight is 152.19.

Physical properties about 1-Pentanone,1-(2-furanyl)- are: (1)ACD/LogP: 2.11; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 30.21Å2; (5)Index of Refraction: 1.466; (6)Molar Refractivity: 42.47 cm3; (7)Molar Volume: 153.2 cm3; (8)Polarizability: 16.84x10-24cm3; (9)Surface Tension: 32.4 dyne/cm; (10)Flash Point: 97 °C; (11)Enthalpy of Vaporization: 46.13 kJ/mol; (12)Boiling Point: 224.8 °C at 760 mmHg; (13)Vapour Pressure: 0.0895 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1occc1)CCCC
(2)InChI: InChI=1/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
(3)InChIKey: HTOZHTBIOGGHDJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
(5)Std. InChIKey: HTOZHTBIOGGHDJ-UHFFFAOYSA-N