2-(4-(4-(1-HYDROXYETHYL)PHENYL)-1H-1,2,3-TRIAZOL-1-YL)ACETIC ACID


Chemical Name: 2-(4-(4-(1-HYDROXYETHYL)PHENYL)-1H-1,2,3-TRIAZOL-1-YL)ACETIC ACID
CAS Number: 2035032-87-0
Product Number: AG019EWY(AG019EWY)
Synonyms:
MDL No:
Molecular Formula: C12H13N3O3
Molecular Weight: 247.2499

Identification/Properties


Computed Properties
Molecular Weight:
906.91g/mol
XLogP3:
-1.5
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
17
Rotatable Bond Count:
25
Exact Mass:
906.37g/mol
Monoisotopic Mass:
906.37g/mol
Topological Polar Surface Area:
313A^2
Heavy Atom Count:
65
Formal Charge:
0
Complexity:
1620
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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