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83918-71-2 | Potassium 2-(4-hydroxyphenyl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate
CAS No: 83918-71-2 Catalog No: AG003TVE MDL No:
Product Description
Catalog Number:
AG003TVE
Chemical Name:
Potassium 2-(4-hydroxyphenyl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate
CAS Number:
83918-71-2
Molecular Formula:
C13H14KNO5
Molecular Weight:
303.3523
IUPAC Name:
potassium;2-(4-hydroxyphenyl)-2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate
InChI:
InChI=1S/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1
InChI Key:
HFDVONAPNRXRSV-UHFFFAOYSA-M
SMILES:
COC(=O)C=C(NC(c1ccc(cc1)O)C(=O)[O-])C.[K+]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.355g/mol
Monoisotopic Mass:
303.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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