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

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

CAS No.:
2137687-64-8
Catalog Number:
AG01EK52
Molecular Formula:
C5H8ClN3O2
Molecular Weight:
177.5889
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Product Description
Catalog Number:
AG01EK52
Chemical Name:
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CAS Number:
2137687-64-8
Molecular Formula:
C5H8ClN3O2
Molecular Weight:
177.5889
MDL Number:
MFCD31558645
IUPAC Name:
2-(1-methyltriazol-4-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C5H7N3O2.ClH/c1-8-3-4(6-7-8)2-5(9)10;/h3H,2H2,1H3,(H,9,10);1H
InChI Key:
UENARMVLEALBCD-UHFFFAOYSA-N
SMILES:
Cn1cc(nn1)CC(=O)O.Cl
Properties
Complexity:
139  
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:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties