Home Other Building Blocks 2-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)acetic acid

2-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)acetic acid

CAS No.:
1017470-94-8
Catalog Number:
AG019WFF
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG019WFF
Chemical Name:
2-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)acetic acid
CAS Number:
1017470-94-8
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD10003291
IUPAC Name:
2-(5-methyl-1-phenyltriazol-4-yl)acetic acid
InChI:
InChI=1S/C11H11N3O2/c1-8-10(7-11(15)16)12-13-14(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)
InChI Key:
KUVPLFJZMWEDDF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nnn(c1C)c1ccccc1
Properties
Complexity:
254  
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:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties