CAS No.34000-39-0,HOMOBUTEIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34000-39-0
Name:	HOMOBUTEIN
Article Data:	16

Formula:	C₁₆H₁₄O₅
Molecular Weight:	286.284
Synonyms:	2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-, (E)-;Chalcone,2',4,4'-trihydroxy-3-methoxy-, (E)- (8CI);Homobutein;
EINECS:	251-782-7
Density:	1.369 g/cm³
Melting Point:	207-212°C
Boiling Point:	523.8 °C at 760 mmHg
Flash Point:	197.6 °C
PSA:	86.99000
LogP:	2.70810

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Specification

This chemical is called 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-, (2E)-, and its systematic name is (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one. With the molecular formula of C₁₆H₁₄O₅, its molecular weight is 286.28. The CAS registry number of this chemical is 34000-39-0. Additionally, its product category is Chalcones.

Other characteristics of the 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-, (2E)- can be summarised as followings: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 88.88; (6)ACD/BCF (pH 7.4): 35.32; (7)ACD/KOC (pH 5.5): 859.52; (8)ACD/KOC (pH 7.4): 341.54; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 79.43 cm³; (15)Molar Volume: 209.1 cm³; (16)Polarizability: 31.48×10^-24cm³; (17)Surface Tension: 64.5 dyne/cm; (18)Density: 1.369 g/c^m3; (19)Flash Point: 197.6 °C; (20)Enthalpy of Vaporization: 82.76 kJ/mol; (21)Boiling Point: 523.8 °C at 760 mmHg; (22)Vapour Pressure: 1.37E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(O)cc1O)\C=C\c2cc(OC)c(O)cc2
2.InChI: InChI=1/C16H14O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h2-9,17,19-20H,1H3/b6-2+
3.InChIKey: BWFSBUVPIAIXKJ-QHHAFSJGBL