Home Carboxys 1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid

1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid

CAS No.:
889940-03-8
Catalog Number:
AG01AP5A
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01AP5A
Chemical Name:
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid
CAS Number:
889940-03-8
MDL Number:
MFCD08445800
IUPAC Name:
1-(2-phenylethyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C11H11N3O2/c15-11(16)10-8-14(13-12-10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)
InChI Key:
UQCHTAKSQAIGOH-UHFFFAOYSA-N
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties