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

2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetic acid

CAS No.:
1368356-52-8
Catalog Number:
AG01AEI5
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
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Product Description
Catalog Number:
AG01AEI5
Chemical Name:
2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetic acid
CAS Number:
1368356-52-8
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
MDL Number:
MFCD22067498
IUPAC Name:
2-(4-acetyltriazol-1-yl)acetic acid
InChI:
InChI=1S/C6H7N3O3/c1-4(10)5-2-9(8-7-5)3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChI Key:
OBZRUKCCCCPIRA-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nnc(c1)C(=O)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties