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89547-13-7 | Oxazole, 2-(1-hexadecylheptadecyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 89547-13-7 Catalog No: AG0086YI MDL No:
Product Description
Catalog Number:
AG0086YI
Chemical Name:
Oxazole, 2-(1-hexadecylheptadecyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
89547-13-7
Molecular Formula:
C38H75NO
Molecular Weight:
562.0082
IUPAC Name:
4,4-dimethyl-2-tritriacontan-17-yl-5H-1,3-oxazole
InChI:
InChI=1S/C38H75NO/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(37-39-38(3,4)35-40-37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36H,5-35H2,1-4H3
InChI Key:
ILLOCEQYIMOAHJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C1=NC(CO1)(C)C)CCCCCCCCCCCCCCCC
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.585g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.024g/mol
Monoisotopic Mass:
561.585g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.3
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