Cas no 764657-43-4 (potassium:(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-(4-hydroxyphenyl)acetate)

potassium:(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-(4-hydroxyphenyl)acetate structure
764657-43-4 structure
Product Name:potassium:(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-(4-hydroxyphenyl)acetate
CAS No:764657-43-4
MF:C14H16KNO5
MW:317.378845214844
CID:5689393
Update Time:2023-10-12

potassium:(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-(4-hydroxyphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • potassium:(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-(4-hydroxyphenyl)acetate
    • Inchi: 1S/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1/b9-8+;/t13-;/m1./s1
    • InChI Key: KCIVNTJLAYJMEK-CZYCHUAMSA-M
    • SMILES: [K+].C([O-])(=O)[C@H](N/C(=C/C(OCC)=O)/C)C1=CC=C(O)C=C1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
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