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89417-77-6 | 1-PROPYL[1,2,4]TRIAZOLE
CAS No: 89417-77-6 Catalog No: AG0044TF MDL No:
Product Description
Catalog Number:
AG0044TF
Chemical Name:
1-PROPYL[1,2,4]TRIAZOLE
CAS Number:
89417-77-6
Molecular Formula:
C5H9N3
Molecular Weight:
111.1451
IUPAC Name:
1-propyl-1,2,4-triazole
InChI:
InChI=1S/C5H9N3/c1-2-3-8-5-6-4-7-8/h4-5H,2-3H2,1H3
InChI Key:
CUOVNMDNRAZFDH-UHFFFAOYSA-N
SMILES:
CCCn1cncn1
Properties
Complexity:
64.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.08g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.148g/mol
Monoisotopic Mass:
111.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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