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

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

CAS No.:
4928-88-5
Catalog Number:
AG003RJK
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$44
- +
100g
95%
In Stock USA
United States
$125
- +
500g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003RJK
Chemical Name:
Methyl 1,2,4-triazole-3-carboxylate
CAS Number:
4928-88-5
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD00135989
IUPAC Name:
methyl 1H-1,2,4-triazole-5-carboxylate
InChI:
InChI=1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7)
InChI Key:
QMPFMODFBNEYJH-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]cn1
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  
Properties