Home Carboxys 1-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid

1-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1092300-57-6
Catalog Number:
AG01C2JX
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
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Product Description
Catalog Number:
AG01C2JX
Chemical Name:
1-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1092300-57-6
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
MDL Number:
MFCD10689515
IUPAC Name:
1-(2-methoxyethyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C6H9N3O3/c1-12-3-2-9-4-5(6(10)11)7-8-9/h4H,2-3H2,1H3,(H,10,11)
InChI Key:
ROSNWRPXSJVOIW-UHFFFAOYSA-N
SMILES:
COCCn1cc(nn1)C(=O)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties