4-Isoxazolecarboxylic acid, ethyl ester


Chemical Name: 4-Isoxazolecarboxylic acid, ethyl ester
CAS Number: 80370-40-7
Product Number: AG005M7K(AGN-PC-00PSVJ)
Synonyms:
MDL No:
Molecular Formula: C6H7NO3
Molecular Weight: 141.1247

Identification/Properties


Properties
BP:
219.5±13.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
141.126g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
141.043g/mol
Monoisotopic Mass:
141.043g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
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:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback