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| CAS No.: | 89307-25-5 |
|---|---|
| Name: | alpha-[[[(2-Furanylcarbonyl)amino]carbonyl]amino]benzeneacetic acid |
| Molecular Structure: | |
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| Formula: | C14H12N2O5 |
| Molecular Weight: | 288.26 |
| Synonyms: | ALPHA-[[[(2-FURANYLCARBONYL)AMINO]CARBONYL]AMINO] BENZENEACETIC ACID;A-(3-(2-Furoylureido))Phenyl Acetic Acid;-[[( 2-FURANYLCARBONYL) AMINO ]CARBONYL]AMINO]BENZENE ACETIC ACID;A -[[(2-FURANYLCARBONYL)AMINO]CARBONYL]AMINO]BENZENE ACETIC ACID;α-(3-(2-Furoylureido)phenyl acetic acid;3-(FURAN-2-CARBONYL)-UREIDO]-PHENYL-ACETIC ACID |
| Density: | 1.388 g/cm3 |
| Melting Point: | 200-208 ºC |
| PSA: | 108.64000 |
| LogP: | 2.32670 |
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Specification
The alpha-[[[(2-Furanylcarbonyl)amino]carbonyl]amino]benzeneacetic acid with cas registry number of 89307-25-5, has the systematic name of 2-(furan-2-carbonylcarbamoylamino)-2-phenyl-acetic acid. And it is also named benzeneacetic acid, alpha-[[[(2-furanylcarbonyl)amino]carbonyl]amino]-.
Physical properties about this chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 108.64 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 71.12 cm3; (9)Molar Volume: 207.5 cm3; (10)Polarizability: 28.19×10-24cm3; (11)Surface Tension: 60.7 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(C(=O)O)NC(=O)NC(=O)c2ccco2;
(2)InChI: InChI=1/C14H12N2O5/c17-12(10-7-4-8-21-10)16-14(20)15-11(13(18)19)9-5-2-1-3-6-9/h1-8,11H,(H,18,19)(H2,15,16,17,20);
(3)InChIKey: OHBHOADQJUEVFG-UHFFFAOYAK;
(4)Std. InChI: InChI=1S/C14H12N2O5/c17-12(10-7-4-8-21-10)16-14(20)15-11(13(18)19)9-5-2-1-3-6-9/h1-8,11H,(H,18,19)(H2,15,16,17,20);
(5)Std. InChIKey: OHBHOADQJUEVFG-UHFFFAOYSA-N