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6502-39-2

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Basic Information
CAS No.: 6502-39-2
Name: (2E)-4-(furan-2-yl)-N-hydroxybut-3-en-2-imine
Article Data: 3
Molecular Structure:
Molecular Structure of 6502-39-2 ((2E)-4-(furan-2-yl)-N-hydroxybut-3-en-2-imine)
Formula: C8H9NO2
Molecular Weight: 151.165
Synonyms: 3-Buten-2-one,4-(2-furyl)-, oxime (7CI);3-Buten-2-one, 4-(2-furyl)-, oxime, stereoisomers(8CI);NSC 236257;
Density: 1.07 g/cm3
Boiling Point: 274.311 °C at 760 mmHg
Flash Point: 119.699 °C
PSA: 45.73000
LogP: 2.14290
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Specification

The 3-Buten-2-one,4-(2-furanyl)-, oxime, with the CAS registry number 6502-39-2, is also known as NSC236257. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16256. Its IUPAC name is called (NE)-N-[4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine. 

Physical properties of 3-Buten-2-one,4-(2-furanyl)-, oxime: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 31; (5)ACD/BCF (pH 7.4): 31; (6)ACD/KOC (pH 5.5): 406; (7)ACD/KOC (pH 7.4): 406; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.51; (12)Molar Refractivity: 41.972 cm3; (13)Molar Volume: 140.316 cm3; (14)Surface Tension: 36.759 dyne/cm; (15)Density: 1.077 g/cm3; (16)Flash Point: 119.699 °C; (17)Enthalpy of Vaporization: 54.158 kJ/mol; (18)Boiling Point: 274.311 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=NO)C=CC1=CC=CO1
(2)Isomeric SMILES: C/C(=N\O)/C=CC1=CC=CO1
(3)InChI: InChI=1S/C8H9NO2/c1-7(9-10)4-5-8-3-2-6-11-8/h2-6,10H,1H3/b5-4?,9-7+
(4)InChIKey: FQVOTFYZEZERCB-VZUAUHPGSA-N