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Home > Aldehydes > 675617-95-5
675617-95-5 | 1-ETHYL-1H-1,2,4-TRIAZOLE-5-CARBALDEHYDE
CAS No: 675617-95-5 Catalog No: AG006EFQ MDL No:MFCD10686597
Product Description
Catalog Number:
AG006EFQ
Chemical Name:
1-ETHYL-1H-1,2,4-TRIAZOLE-5-CARBALDEHYDE
CAS Number:
675617-95-5
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD10686597
IUPAC Name:
2-ethyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C5H7N3O/c1-2-8-5(3-9)6-4-7-8/h3-4H,2H2,1H3
InChI Key:
IGMKFRWHQLJAJS-UHFFFAOYSA-N
SMILES:
O=Cc1ncnn1CC
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:
0.1
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