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Basic Information
CAS No.: 79868-75-0
Name: {[(4-Ethyl-2,3-Dioxo-1-Piperazinyl) Carbonyl]Amino}-4-Hydroxy-Benzene Acetic Acid
Molecular Structure:
Molecular Structure of 79868-75-0 ({[(4-Ethyl-2,3-Dioxo-1-Piperazinyl) Carbonyl]Amino}-4-Hydroxy-Benzene Acetic Acid)
Formula: C15H17N3O6
Molecular Weight: 335.316
Synonyms: )-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acid;Einecs 279-328-3
EINECS: 279-328-3
Density: 1.456 g/cm3
PSA: 127.25000
LogP: 0.18490
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Specification

The Benzeneacetic acid, a-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxy- is an organic compound with the formula C15H17N3O6. The IUPAC name of this chemical is 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid. With the CAS registry number 79868-75-0, it is also named as {[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(4-hydroxyphenyl)acetic acid.

Physical properties about Benzeneacetic acid, a-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxy- are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): -1.39; (3)ACD/LogD (pH 7.4): -2.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 96.46 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 80.53 cm3; (14)Molar Volume: 230.2 cm3; (15)Polarizability: 31.92×10-24cm3; (16)Surface Tension: 70.2 dyne/cm; (17)Density: 1.456 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1ccc(O)cc1)NC(=O)N2C(=O)C(=O)N(CC)CC2
(2)InChI: InChI=1/C15H17N3O6/c1-2-17-7-8-18(13(21)12(17)20)15(24)16-11(14(22)23)9-3-5-10(19)6-4-9/h3-6,11,19H,2,7-8H2,1H3,(H,16,24)(H,22,23)
(3)InChIKey: IPARGUVYMOMVNU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H17N3O6/c1-2-17-7-8-18(13(21)12(17)20)15(24)16-11(14(22)23)9-3-5-10(19)6-4-9/h3-6,11,19H,2,7-8H2,1H3,(H,16,24)(H,22,23)
(5)Std. InChIKey: IPARGUVYMOMVNU-UHFFFAOYSA-N