2-(morpholin-4-yl)prop-2-enoic acid

• ChemBase ID: 799390
• Molecular Formular: C7H11NO3
• Molecular Mass: 157.16714
• Monoisotopic Mass: 157.07389322
• SMILES: C(=O)(O)C(=C)N1CCOCC1
• Canonical SMILES: C=C(C(=O)O)N1CCOCC1
• InChI: InChI=1S/C7H11NO3/c1-6(7(9)10)8-2-4-11-5-3-8/h1-5H2,(H,9,10)
• InChIKey: NUCFPKLEYCSILH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)prop-2-enoic acid
• IUPAC Traditional name: 2-(morpholin-4-yl)prop-2-enoic acid
• Synonyms: 2-morpholinoacrylic acid

Database IDs

• CAS Number: 64683-32-5

CALCULATED PROPERTIES

• Acid pKa: 4.3491254
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2599293
• LogD (pH = 7.4): -2.9935746
• Log P: -0.02576342
• Molar Refractivity: 40.0601 cm^3
• Polarizability: 15.070671 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%