Home Other Building Blocks 3-[(1H-1,2,3-triazol-1-yl)methyl]benzoic acid

3-[(1H-1,2,3-triazol-1-yl)methyl]benzoic acid

CAS No.:
1361004-21-8
Catalog Number:
AG01B6WK
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
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Product Description
Catalog Number:
AG01B6WK
Chemical Name:
3-[(1H-1,2,3-triazol-1-yl)methyl]benzoic acid
CAS Number:
1361004-21-8
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD20486505
IUPAC Name:
3-(triazol-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C10H9N3O2/c14-10(15)9-3-1-2-8(6-9)7-13-5-4-11-12-13/h1-6H,7H2,(H,14,15)
InChI Key:
UVKYSMHAIYTTLE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Cn1nncc1
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties