3-(2-oxo-1,4-benzoxazin-3-yl)propanoic acid


Chemical Name: 3-(2-oxo-1,4-benzoxazin-3-yl)propanoic acid
CAS Number: 247571-62-6
Product Number: AG002PBS(AGN-PC-0JUXFM)
Synonyms:
MDL No:
Molecular Formula: C11H9NO4
Molecular Weight: 219.1935

Identification/Properties


Computed Properties
Molecular Weight:
219.196g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
219.053g/mol
Monoisotopic Mass:
219.053g/mol
Topological Polar Surface Area:
76A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
337
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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