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


Chemical Name: 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester
CAS Number: 139297-55-5
Product Number: AG00AIHA(AGN-PC-0MXN6G)
Synonyms:
MDL No:
Molecular Formula: C6H7NO4
Molecular Weight: 157.12408

Identification/Properties


Computed Properties
Molecular Weight:
157.125g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
157.038g/mol
Monoisotopic Mass:
157.038g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
150
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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