CAS No.23477-67-0,DL-Ethylgonendione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23477-67-0
Name:	DL-Ethylgonendione
Article Data:	16

Formula:	C₁₉H₂₆O₂
Molecular Weight:	286.414
Synonyms:	(+/-)-13-Ethyl-gon-4-ene-3,17-dione;
Density:	1.118 g/cm³
Boiling Point:	445.248 °C at 760 mmHg
Flash Point:	166.014 °C
PSA:	34.14000
LogP:	4.08740

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Specification

The DL-Ethylgonendione, with CAS registry number 23477-67-0, has the systematic name of gon-3-ene-1,2-dione, 3-ethyl-. Besides this, it is also called 3-Ethylgon-3-ene-1,2-dione. And the chemical formula of this chemical is C₁₉H₂₆O₂.

Physical properties of DL-Ethylgonendione: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.62; (4)ACD/LogD (pH 7.4): 4.62; (5)ACD/BCF (pH 5.5): 1922.88; (6)ACD/BCF (pH 7.4): 1922.88; (7)ACD/KOC (pH 5.5): 7802.8; (8)ACD/KOC (pH 7.4): 7802.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 81.74 cm³; (15)Molar Volume: 266.4 cm³; (16)Polarizability: 32.4×10^-24cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Enthalpy of Vaporization: 66.85 kJ/mol; (19)Vapour Pressure: 4.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC1=CC2CC[C@H]3[C@@H]4CCC[C@H]4CC[C@@H]3[C@H]2C(=O)C1=O
(2)InChI: InChI=1/C19H26O2/c1-2-11-10-13-7-8-15-14-5-3-4-12(14)6-9-16(15)17(13)19(21)18(11)20/h10,12-17H,2-9H2,1H3/t12-,13?,14+,15-,16-,17-/m0/s1
(3)InChIKey: DCGUHOUHXQOYSB-GKXZFMEUBY
(4)Std. InChI: InChI=1S/C19H26O2/c1-2-11-10-13-7-8-15-14-5-3-4-12(14)6-9-16(15)17(13)19(21)18(11)20/h10,12-17H,2-9H2,1H3/t12-,13?,14+,15-,16-,17-/m0/s1
(5)Std. InChIKey: DCGUHOUHXQOYSB-GKXZFMEUSA-N