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Basic Information
CAS No.: 113906-27-7
Name: 2-Phenoxybenzoicacid-[(5-methyl-2-furanyl)methylene]hydrazide
Molecular Structure:
Molecular Structure of 113906-27-7 (2-Phenoxybenzoicacid-[(5-methyl-2-furanyl)methylene]hydrazide)
Formula: C19H16N2O3
Molecular Weight: 320.34
Synonyms: Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
Density: 1.179 g/cm3
Hazard Symbols: Xn
Risk Codes: 22
PSA: 63.83000
LogP: 4.53510
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Specification

The N'-[(E)-(5-Methyl-2-furyl)methylene]-2-phenoxybenzohydrazide is an organic compound with the formula C19H16N2O3. The systematic name of this chemical is N'-[(1E)-(5-methylfuran-2-yl)methylidene]-2-phenoxybenzohydrazide. With the CAS registry number 113906-27-7, it is also named as Benzoic acid, 2-phenoxy-, 2-[(1E)-(5-methyl-2-furanyl)methylene]hydrazide.

The other characteristics of N'-[(E)-(5-Methyl-2-furyl)methylene]-2-phenoxybenzohydrazide can be summarized as: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 538; (6)ACD/BCF (pH 7.4): 538; (7)ACD/KOC (pH 5.5): 3135; (8)ACD/KOC (pH 7.4): 3135; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.83 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 92.017 cm3; (15)Molar Volume: 271.704 cm3; (16)Polarizability: 36.478×10-24 cm3; (17)Surface Tension: 43.945 dyne/cm; (18)Density: 1.179 g/cm3.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(N\N=C\c1oc(cc1)C)c3ccccc3Oc2ccccc2
2. InChI:InChI=1/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+
3. InChIKey:JJEDWBQZCRESJL-DEDYPNTBBI
4. Std. InChI:InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+
5. Std. InChIKey:JJEDWBQZCRESJL-DEDYPNTBSA-N