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Home > Aldehydes > 177028-44-3
177028-44-3 | 4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-CARBALDEHYDE
CAS No: 177028-44-3 Catalog No: AG01BM5Y MDL No:MFCD24682389
Product Description
Catalog Number:
AG01BM5Y
Chemical Name:
4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-CARBALDEHYDE
CAS Number:
177028-44-3
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD24682389
IUPAC Name:
4-cyclohexyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C9H13N3O/c13-6-9-11-10-7-12(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChI Key:
FAGGCZAGHDIKLZ-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1C1CCCCC1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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