Home Aldehydes 1-ethyl-1H-1,2,3-triazole-5-carbaldehyde

1-ethyl-1H-1,2,3-triazole-5-carbaldehyde

CAS No.:
1393540-46-9
Catalog Number:
AG01C3KG
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
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Product Description
Catalog Number:
AG01C3KG
Chemical Name:
1-ethyl-1H-1,2,3-triazole-5-carbaldehyde
CAS Number:
1393540-46-9
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD22547854
IUPAC Name:
3-ethyltriazole-4-carbaldehyde
InChI:
InChI=1S/C5H7N3O/c1-2-8-5(4-9)3-6-7-8/h3-4H,2H2,1H3
InChI Key:
PVRKCRXASJKOHP-UHFFFAOYSA-N
SMILES:
O=Cc1cnnn1CC
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties