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CAS No.: | 7478-88-8 |
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Name: | 3-({[4-(ACETYLAMINO)PHENYL]SULFONYL}AMINO)PROPANOIC ACID |
Molecular Structure: | |
Formula: | C11H14N2O5S |
Molecular Weight: | 286.309 |
Synonyms: | 3-[(4-acetamidophenyl)sulfonylamino]propanoate; |
Density: | 1.426 g/cm3 |
PSA: | 120.95000 |
LogP: | 1.94270 |
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The 3-[(4-Acetamidophenyl)sulfonylamino]propanoic acid, with the CAS registry number 7478-88-8, is also known as NSC401551. This chemical's molecular formula is C11H14N2O5S and molecular weight is 286.30426. Its IUPAC name is called 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid.
Physical properties of 3-[(4-Acetamidophenyl)sulfonylamino]propanoic acid: (1)ACD/LogP: 0.35; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.44; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.59; (10)Molar Refractivity: 67.78 cm3; (11)Molar Volume: 200.7 cm3; (12)Surface Tension: 63 dyne/cm; (13)Density: 1.426 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O
(2)InChI: InChI=1S/C11H14N2O5S/c1-8(14)13-9-2-4-10(5-3-9)19(17,18)12-7-6-11(15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H,15,16)
(3)InChIKey: WJPNHFVXBVQRJG-UHFFFAOYSA-N