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89188-23-8 | Pyrrolidine, 1-[18-(2-hexylcyclopropyl)-1-oxooctadecyl]-
CAS No: 89188-23-8 Catalog No: AG003VN9 MDL No:
Product Description
Catalog Number:
AG003VN9
Chemical Name:
Pyrrolidine, 1-[18-(2-hexylcyclopropyl)-1-oxooctadecyl]-
CAS Number:
89188-23-8
Molecular Formula:
C31H59NO
Molecular Weight:
461.8063
IUPAC Name:
18-(2-hexylcyclopropyl)-1-pyrrolidin-1-yloctadecan-1-one
InChI:
InChI=1S/C31H59NO/c1-2-3-4-18-23-29-28-30(29)24-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-25-31(33)32-26-21-22-27-32/h29-30H,2-28H2,1H3
InChI Key:
LWNLCCOCQGMPAA-UHFFFAOYSA-N
SMILES:
CCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)N1CCCC1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.46g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.819g/mol
Monoisotopic Mass:
461.46g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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