Home Carboxys Methyl 1,2,3-triazole-4-carboxylate

Methyl 1,2,3-triazole-4-carboxylate

CAS No.:
4967-77-5
Catalog Number:
AG003558
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$72
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003558
Chemical Name:
Methyl 1,2,3-triazole-4-carboxylate
CAS Number:
4967-77-5
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD12912989
IUPAC Name:
methyl 2H-triazole-4-carboxylate
InChI:
InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)
InChI Key:
FZXQUCUWEZQIHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nn1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Methyl 1H-1,2,3-triazole-4-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090201
Properties