4-Isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester


Chemical Name: 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester
CAS Number: 17147-42-1
Product Number: AG00AP4R(AGN-PC-0JVOBK)
Synonyms:
MDL No:
Molecular Formula: C8H11NO3
Molecular Weight: 169.1778

Identification/Properties


Computed Properties
Molecular Weight:
169.18g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
169.074g/mol
Monoisotopic Mass:
169.074g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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