4-Isoxazolecarboxylic acid, 5-ethyl-


Chemical Name: 4-Isoxazolecarboxylic acid, 5-ethyl-
CAS Number: 134541-03-0
Product Number: AG0070DJ(AGN-PC-002JV7)
Synonyms:
MDL No:
Molecular Formula: C6H7NO3
Molecular Weight: 141.1247

Identification/Properties


Computed Properties
Molecular Weight:
141.126g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
141.043g/mol
Monoisotopic Mass:
141.043g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
137
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:
Danger
UN#:
2735
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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