Home Carboxys Methyl 5-oxo-4,5-dihydro-1h-1,2,4-triazole-3-carboxylate

Methyl 5-oxo-4,5-dihydro-1h-1,2,4-triazole-3-carboxylate

CAS No.:
57281-13-7
Catalog Number:
AG00EK15
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
Product Description
Catalog Number:
AG00EK15
Chemical Name:
Methyl 5-oxo-4,5-dihydro-1h-1,2,4-triazole-3-carboxylate
CAS Number:
57281-13-7
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
MDL Number:
MFCD02853194
IUPAC Name:
methyl 5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C4H5N3O3/c1-10-3(8)2-5-4(9)7-6-2/h1H3,(H2,5,6,7,9)
InChI Key:
AGPKBXZPKSLZOJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(=O)[nH]1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties