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Ethanone,1-(3-ethoxyphenyl)- (52600-91-6)

Identification
Name:Ethanone,1-(3-ethoxyphenyl)-
Synonyms:Acetophenone,3'-ethoxy- (6CI);1-(3-Ethoxyphenyl)ethanone;3'-Ethoxyacetophenone;
CAS:52600-91-6
Molecular Formula: C10H12O2
Molecular Weight: 0
InChI: InChI=1/C10H12O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-7H,3H2,1-2H3
Molecular Structure: (C10H12O2) Acetophenone,3'-ethoxy- (6CI);1-(3-Ethoxyphenyl)ethanone;3'-Ethoxyacetophenone;
Properties
Density:1.016 g/cm3
Refractive index:1.501
Specification:

The 3-Ethoxyacetophenone, with cas registry number 52600-91-6, has the systematic name of 1-(3-ethoxyphenyl)ethanone. And its IUPAC name is the same one. Besides this, it is also called ethanone, 1-(3-ethoxyphenyl)-. And the chemical formula of this chemical is C10H12O2.

Physical properties about this chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.501; (8)Molar Refractivity: 47.59 cm3; (9)Molar Volume: 161.4 cm3; (10)Polarizability: 18.86×10-24cm3; (11)Surface Tension: 33.6 dyne/cm; (12)Enthalpy of Vaporization: 48.22 kJ/mol; (13)Vapour Pressure: 0.0292 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(OCC)ccc1)C
(2)InChI: InChI=1/C10H12O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-7H,3H2,1-2H3
(3)InChIKey: RUWWFEHTGUJEDT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H12O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-7H,3H2,1-2H3
(5)Std. InChIKey: RUWWFEHTGUJEDT-UHFFFAOYSA-N

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