Home Other Building Blocks 3-(1H-1,2,3-triazol-1-yl)propanoic acid hydrochloride

3-(1H-1,2,3-triazol-1-yl)propanoic acid hydrochloride

CAS No.:
1803604-38-7
Catalog Number:
AG01B1I3
Molecular Formula:
C5H8ClN3O2
Molecular Weight:
177.5889
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Product Description
Catalog Number:
AG01B1I3
Chemical Name:
3-(1H-1,2,3-triazol-1-yl)propanoic acid hydrochloride
CAS Number:
1803604-38-7
Molecular Formula:
C5H8ClN3O2
Molecular Weight:
177.5889
MDL Number:
MFCD27980923
IUPAC Name:
3-(triazol-1-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C5H7N3O2.ClH/c9-5(10)1-3-8-4-2-6-7-8;/h2,4H,1,3H2,(H,9,10);1H
InChI Key:
HDNUTZJBAVJXIL-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1ccnn1.Cl
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.588g/mol
Monoisotopic Mass:
177.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties