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

5-(1H-1,2,3-triazol-4-yl)pentanoic acid

CAS No.:
1461714-38-4
Catalog Number:
AG01A6SR
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
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Product Description
Catalog Number:
AG01A6SR
Chemical Name:
5-(1H-1,2,3-triazol-4-yl)pentanoic acid
CAS Number:
1461714-38-4
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD28138058
IUPAC Name:
5-(2H-triazol-4-yl)pentanoic acid
InChI:
InChI=1S/C7H11N3O2/c11-7(12)4-2-1-3-6-5-8-10-9-6/h5H,1-4H2,(H,11,12)(H,8,9,10)
InChI Key:
NLAOMPHIYUFTPV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1c[nH]nn1
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties