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113527-38-1 | Oxirane, 2-octatriacontyl-
CAS No: 113527-38-1 Catalog No: AG0008WD MDL No:
Product Description
Catalog Number:
AG0008WD
Chemical Name:
Oxirane, 2-octatriacontyl-
CAS Number:
113527-38-1
Molecular Formula:
C40H80O
Molecular Weight:
577.0626
IUPAC Name:
2-octatriacontyloxirane
InChI:
InChI=1S/C40H80O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-39-41-40/h40H,2-39H2,1H3
InChI Key:
YTPUZVFYOUEHEJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1OC1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.621g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
577.079g/mol
Monoisotopic Mass:
576.621g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
20.3
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