CAS No.38987-00-7,4-Acetyl-2-allylresorcinol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38987-00-7
Name:	4-Acetyl-2-allylresorcinol
Article Data:	7

Formula:	C₁₁H₁₂O₃
Molecular Weight:	192.214
Synonyms:	Ethanone,1-[2,4-dihydroxy-3-(2-propenyl)phenyl]- (9CI);3-Allyl-2,4-dihydroxyacetophenone;3-Allyl-b-resacetophenone;4-Acetyl-2-allylresorcinol;
Density:	1.184 g/cm³
Melting Point:	133°C
Boiling Point:	360.9 °C at 760 mmHg
Flash Point:	186.2 °C
PSA:	57.53000
LogP:	2.02890

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Specification

The CAS register number of 1-(3-Allyl-2,4-dihydroxyphenyl)ethanone is 38987-00-7. It also can be called as Ethanone,1-[2,4-dihydroxy-3-(2-propen-1-yl)phenyl]- and the systematic name about this chemical is 1-(2,4-dihydroxy-3-prop-2-en-1-ylphenyl)ethanone. It belongs to the following product categories, such as API intermediates, Phenyls & Phenyl-Het and so on.

Physical properties about 1-(3-Allyl-2,4-dihydroxyphenyl)ethanone are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.7; (4)ACD/BCF (pH 5.5): 73.21; (5)ACD/BCF (pH 7.4): 65.04; (6)ACD/KOC (pH 5.5): 751.75; (7)ACD/KOC (pH 7.4): 667.87; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 35.53Å²; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 53.95 cm³; (14)Molar Volume: 162.2 cm³; (15)Polarizability: 21.38x10^-24cm³; (16)Surface Tension: 48.3 dyne/cm; (17)Enthalpy of Vaporization: 63.05 kJ/mol; (18)Boiling Point: 360.9 °C at 760 mmHg; (19)Vapour Pressure: 1.04E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(O)c(c1O)C/C=C)C
(2)InChI: InChI=1/C11H12O3/c1-3-4-9-10(13)6-5-8(7(2)12)11(9)14/h3,5-6,13-14H,1,4H2,2H3
(3)InChIKey: SCTZFHGSNSIMHU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H12O3/c1-3-4-9-10(13)6-5-8(7(2)12)11(9)14/h3,5-6,13-14H,1,4H2,2H3
(5)Std. InChIKey: SCTZFHGSNSIMHU-UHFFFAOYSA-N