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89547-11-5 | Oxazole, 2-(1-butylheptadecyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 89547-11-5 Catalog No: AG003YKX MDL No:
Product Description
Catalog Number:
AG003YKX
Chemical Name:
Oxazole, 2-(1-butylheptadecyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
89547-11-5
Molecular Formula:
C26H51NO
Molecular Weight:
393.6892
IUPAC Name:
2-henicosan-5-yl-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C26H51NO/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(21-8-6-2)25-27-26(3,4)23-28-25/h24H,5-23H2,1-4H3
InChI Key:
ZEKHDDACRXPIFN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C1=NC(CO1)(C)C)CCCC
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.397g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.7g/mol
Monoisotopic Mass:
393.397g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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