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14521-59-6 | 1H-Pyrazole, 4-ethyl-4,5-dihydro-1-octyl-5-propyl-
CAS No: 14521-59-6 Catalog No: AG001KOI MDL No:
Product Description
Catalog Number:
AG001KOI
Chemical Name:
1H-Pyrazole, 4-ethyl-4,5-dihydro-1-octyl-5-propyl-
CAS Number:
14521-59-6
Molecular Formula:
C16H32N2
Molecular Weight:
252.4387
IUPAC Name:
4-ethyl-2-octyl-3-propyl-3,4-dihydropyrazole
InChI:
InChI=1S/C16H32N2/c1-4-7-8-9-10-11-13-18-16(12-5-2)15(6-3)14-17-18/h14-16H,4-13H2,1-3H3
InChI Key:
JGVBRDGBMFPRKK-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1N=CC(C1CCC)CC
NSC Number:
103374
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.257g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.446g/mol
Monoisotopic Mass:
252.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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