4-[(1,3-Dioxybutyl)Amino]-5-Methoxy-2-Methyl-Benzenesulfonic Acid
[CAS# 62592-39-6]

Identification

• Name: 4-[(1,3-Dioxybutyl)Amino]-5-Methoxy-2-Methyl-Benzenesulfonic Acid
• Synonyms: 4-(1,3-Dioxobutylamino)-5-Methoxy-2-Methylbenzenesulfonic Acid; 4-(Acetoacetylamino)-5-Methoxy-2-Methyl-Benzenesulfonic Acid; Acetoacet-P-Cresidinesulfonic Acid
• Molecular Formula: C₁₂H₁₅NO₆S
• Molecular Weight: 301.31
• CAS Registry Number: 62592-39-6
• SMILES: C1=C(OC)C(=CC(=C1[S](=O)(=O)O)C)NC(=O)CC(=O)C
• InChI: 1S/C12H15NO6S/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18)
• InChIKey: YTSYXEDYBAQECZ-UHFFFAOYSA-N

Properties

• Density: 1.397g/cm³ (Cal.)