3-Isoxazolecarboxylic acid, 4-methyl-


Chemical Name: 3-Isoxazolecarboxylic acid, 4-methyl-
CAS Number: 215872-46-1
Product Number: AG007PWF(AGN-PC-03HBGR)
Synonyms:
MDL No:
Molecular Formula: C5H5NO3
Molecular Weight: 127.0981

Identification/Properties


Computed Properties
Molecular Weight:
127.099g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
127.027g/mol
Monoisotopic Mass:
127.027g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
125
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


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback