Home Carboxys 1-Methyl-1h-[1,2,4]triazole-3-carboxylic acid methyl ester

1-Methyl-1h-[1,2,4]triazole-3-carboxylic acid methyl ester

CAS No.:
57031-66-0
Catalog Number:
AG00377O
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$32
- +
1g
95%
In Stock USA
United States
$67
- +
Product Description
Catalog Number:
AG00377O
Chemical Name:
1-Methyl-1h-[1,2,4]triazole-3-carboxylic acid methyl ester
CAS Number:
57031-66-0
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD13191558
IUPAC Name:
methyl 1-methyl-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C5H7N3O2/c1-8-3-6-4(7-8)5(9)10-2/h3H,1-2H3
InChI Key:
NKPPQSVPTZHGMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncn(n1)C
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties