3(2H)-Benzoxazoleacetic acid, 2-oxo-


Chemical Name: 3(2H)-Benzoxazoleacetic acid, 2-oxo-
CAS Number: 13610-49-6
Product Number: AG009C1W(AGN-PC-0JVOOC)
Synonyms:
MDL No:
Molecular Formula: C9H7NO4
Molecular Weight: 193.1562

Identification/Properties


Computed Properties
Molecular Weight:
193.158g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
193.038g/mol
Monoisotopic Mass:
193.038g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
266
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312+P330-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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