4-[[(2R,3R)-2-[(E,3S)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzoic acid


Chemical Name: 4-[[(2R,3R)-2-[(E,3S)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzoic acid
CAS Number: 144397-99-9
Product Number: AG001JGB(AGN-PC-094JSA)
Synonyms:
MDL No:
Molecular Formula: C15H17NO5
Molecular Weight: 291.2992

Identification/Properties


Computed Properties
Molecular Weight:
291.303g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
291.111g/mol
Monoisotopic Mass:
291.111g/mol
Topological Polar Surface Area:
95.9A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
414
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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