5-(4-Carboxyphenyl)isoxazole-3-carboxylic Acid


Chemical Name: 5-(4-Carboxyphenyl)isoxazole-3-carboxylic Acid
CAS Number: 1375064-71-3
Product Number: AG0013EO(AGN-PC-0WAARV)
Synonyms:
MDL No: MFCD22192330
Molecular Formula: C11H7NO5
Molecular Weight: 233.1770

Identification/Properties


Computed Properties
Molecular Weight:
233.179g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
233.032g/mol
Monoisotopic Mass:
233.032g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
311
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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