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Basic Information
CAS No.: 623-16-5
Name: (2E)-3-(2-furyl)prop-2-enamide
Molecular Structure:
Molecular Structure of 623-16-5 ((2E)-3-(2-furyl)prop-2-enamide)
Formula: C7H7NO2
Molecular Weight: 137.136
Synonyms: 2-Furfurylideneacetamide;Furfuracrylic amide;2-Furanpropenamide;(E)-3-(2-furyl)prop-2-enamide;2-Propenamide, 3-(2-furanyl)- (9CI);2-FURANACRYLAMIDE;
Density: 1.202 g/cm3
Boiling Point: 328.1 °C at 760 mmHg
Flash Point: 152.2 °C
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Specification

The 3-(2-Furanyl)-2-propenamide is an organic compound with the formula C7H7NO2. The IUPAC name of this chemical is (E)-3-(furan-2-yl)prop-2-enamide. With the CAS registry number 623-16-5, it is also named as 2-propenamide, 3-(2-furanyl)-, (2E)-. The product's classification code is Drug / Therapeutic Agent.

Physical properties about 3-(2-Furanyl)-2-propenamide are: (1)ACD/LogP: 0.97; (2)ACD/LogD (pH 5.5): 0.97; (3)ACD/LogD (pH 7.4): 0.97; (4)ACD/BCF (pH 5.5): 3.24; (5)ACD/BCF (pH 7.4): 3.24; (6)ACD/KOC (pH 5.5): 80.75; (7)ACD/KOC (pH 7.4): 80.75; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 33.45 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 38 cm3; (14)Molar Volume: 114 cm3; (15)Polarizability: 15.06×10-24cm3; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 152.2 °C; (19)Enthalpy of Vaporization: 57.05 kJ/mol; (20)Boiling Point: 328.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1occc1)N
(2)InChI: InChI=1/C7H7NO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)/b4-3+
(3)InChIKey: XSVYCXHKWNFZLL-ONEGZZNKBB
(4)Std. InChI: InChI=1S/C7H7NO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)/b4-3+
(5)Std. InChIKey: XSVYCXHKWNFZLL-ONEGZZNKSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo unreported 25mg/kg (25mg/kg)   Journal of the American Pharmaceutical Association. Vol. 23, Pg. 788, 1934.
rat LDLo unreported 100mg/kg (100mg/kg)   Journal of the American Pharmaceutical Association. Vol. 23, Pg. 788, 1934.