Home Carboxys 1-ethyl-4-methyl-1H-1,2,3-triazole-5-carboxylic acid

1-ethyl-4-methyl-1H-1,2,3-triazole-5-carboxylic acid

CAS No.:
1368116-13-5
Catalog Number:
AG01BCCB
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BCCB
Chemical Name:
1-ethyl-4-methyl-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
1368116-13-5
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD22069727
IUPAC Name:
3-ethyl-5-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C6H9N3O2/c1-3-9-5(6(10)11)4(2)7-8-9/h3H2,1-2H3,(H,10,11)
InChI Key:
UPBBEZWZHPWDMT-UHFFFAOYSA-N
SMILES:
CCn1nnc(c1C(=O)O)C
Properties
Complexity:
162  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties