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89547-12-6 | Oxazole, 2-(1-decylheptadecyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 89547-12-6 Catalog No: AG003ZNV MDL No:
Product Description
Catalog Number:
AG003ZNV
Chemical Name:
Oxazole, 2-(1-decylheptadecyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
89547-12-6
Molecular Formula:
C32H63NO
Molecular Weight:
477.8487
IUPAC Name:
2-heptacosan-11-yl-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C32H63NO/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31-33-32(3,4)29-34-31)27-25-23-21-14-12-10-8-6-2/h30H,5-29H2,1-4H3
InChI Key:
HEGLASAVOQQLMZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C1=NC(CO1)(C)C)CCCCCCCCCC
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.491g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.862g/mol
Monoisotopic Mass:
477.491g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1
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