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Home > Aldehydes > 1554453-19-8
1554453-19-8 | 4-ethyl-4H-1,2,4-triazole-3-carbaldehyde
CAS No: 1554453-19-8 Catalog No: AG01BM5W MDL No:MFCD28624498
Product Description
Catalog Number:
AG01BM5W
Chemical Name:
4-ethyl-4H-1,2,4-triazole-3-carbaldehyde
CAS Number:
1554453-19-8
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD28624498
IUPAC Name:
4-ethyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C5H7N3O/c1-2-8-4-6-7-5(8)3-9/h3-4H,2H2,1H3
InChI Key:
LXWUVYAENZGHCN-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1CC
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:
-0.5
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