4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid


Chemical Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid
CAS Number: 42142-70-1
Product Number: AG0073MN(AGN-PC-0LK9ER)
Synonyms:
MDL No:
Molecular Formula: C11H10N2O6
Molecular Weight: 266.2069

Identification/Properties


Computed Properties
Molecular Weight:
266.209g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
266.054g/mol
Monoisotopic Mass:
266.054g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
393
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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