Anemonine supplier | CasNO.508-44-1

Name
Anemonine
EINECS
CAS No. 508-44-1
Article Data1
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point 157-158℃
Formula C₁₀H₈O₄
Boiling Point 535.7 °C at 760 mmHg
Molecular Weight 192.1681
Flash Point 300.7 °C
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Molecular Structure
Hazard Symbols
Synonyms 1,2-Cyclobutanediacrylic acid, 1,2-dihydroxy-, di-γ-lactone;Pulsatilla camphor;Anemonin;1,7-Dioxadispiro(4.0.4.2)dodeca-3,9-diene-2,8-dione, trans-;Anemone camphor;
PSA 52.60000
LogP 0.48380

Anemonine Specification

The Anemonine, with the CAS registry number 508-44-1, is also known as 1,2-Cyclobutanediacrylic acid, 1,2-dihydroxy-, di-γ-lactone. This chemical's molecular formula is C₁₀H₈O₄ and molecular weight is 192.1681. What's more, its IUPAC name is 4,7-Dioxadispiro[4.0.4⁶.2⁵]dodeca-1,9-diene-3,8-dione.

Physical properties about Anemonine are: (1)ACD/LogP: -1.34; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.46; (8)ACD/KOC (pH 7.4): 4.46; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 45.77 cm³; (15)Molar Volume: 131.9 cm³; (16)Polarizability: 18.14×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 300.7 °C; (20)Enthalpy of Vaporization: 81.23 kJ/mol; (21)Boiling Point: 535.7 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-11 mmHg at 25 °C.

Preparation of Anemonine: this chemical can be prepared by 5-Acetoxy-5-methyl-5H-furan-2-one. This reaction needs reagent conc. Sulfuric acid and solvents Acetic acid, Acetic anhydride at temperature of 80 °C. The yield is 83%.

Anemonine can be prepared by 5-Acetoxy-5-methyl-5H-furan-2-one.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1OC3(/C=C/1)C/2(OC(=O)\C=C\2)CC3
(2) InChI: InChI=1/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2
(3) InChIKey: JLUQTCXCAFSSLD-UHFFFAOYAK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	150mg/kg (150mg/kg)		Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946.

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Anemonine

Anemonine Specification

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