Home Carboxys ethyl 1-methyl-1H-1,2,4-triazole-3-carboxylate

ethyl 1-methyl-1H-1,2,4-triazole-3-carboxylate

CAS No.:
102139-12-8
Catalog Number:
AG01B4ZY
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01B4ZY
Chemical Name:
ethyl 1-methyl-1H-1,2,4-triazole-3-carboxylate
CAS Number:
102139-12-8
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD18344485
IUPAC Name:
ethyl 1-methyl-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C6H9N3O2/c1-3-11-6(10)5-7-4-9(2)8-5/h4H,3H2,1-2H3
InChI Key:
OTTWHLNWDVJKAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncn(n1)C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties