3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester


Chemical Name: 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
CAS Number: 123770-62-7
Product Number: AG000L1K(AGN-PC-0M79QS)
Synonyms:
MDL No:
Molecular Formula: C7H9NO4
Molecular Weight: 171.1507

Identification/Properties


Computed Properties
Molecular Weight:
171.152g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
171.053g/mol
Monoisotopic Mass:
171.053g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
162
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-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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