2-[(4-Hydroxy-4-Oxobutyl)Carbamoyl]Benzoic Acid
[CAS# 3130-76-5]

Identification

• Name: 2-[(4-Hydroxy-4-Oxobutyl)Carbamoyl]Benzoic Acid
• Synonyms: 2-[(4-Hydroxy-4-Oxo-Butyl)Carbamoyl]Benzoic Acid; 2-[[(4-Hydroxy-4-Oxobutyl)Amino]-Oxomethyl]Benzoic Acid; 2-[(4-Hydroxy-4-Keto-Butyl)Carbamoyl]Benzoic Acid
• Molecular Formula: C₁₂H₁₃NO₅
• Molecular Weight: 251.24
• CAS Registry Number: 3130-76-5
• SMILES: C1=C(C(=CC=C1)C(O)=O)C(NCCCC(O)=O)=O
• InChI: 1S/C12H13NO5/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(17)18/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)(H,17,18)
• InChIKey: LENIZMSGCFPTBO-UHFFFAOYSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 567.412°C at 760 mmHg (Cal.)
• Flash point: 296.96°C (Cal.)