The [(2-Ethoxyphenyl)methylideneamino]carbamic acid, with the CAS registry number 6641-55-0, is also known as NSC47650. This chemical's molecular formula is C10H12N2O3 and molecular weight is 208.21388. Its IUPAC name is called [(E)-(2-ethoxyphenyl)methylideneamino]carbamic acid.
Physical properties of [(2-Ethoxyphenyl)methylideneamino]carbamic acid: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 55.097 cm3; (13)Molar Volume: 174.695 cm3; (14)Surface Tension: 43.31 dyne/cm; (15)Density: 1.192 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC=CC=C1C=NNC(=O)O
(2)Isomeric SMILES: CCOC1=CC=CC=C1/C=N/NC(=O)O
(3)InChI: InChI=1S/C10H12N2O3/c1-2-15-9-6-4-3-5-8(9)7-11-12-10(13)14/h3-7,12H,2H2,1H3,(H,13,14)/b11-7+
(4)InChIKey: JTLXDXCWVADHAD-YRNVUSSQSA-N
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