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96964-42-0 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[2-(8-phenyloctyl)phenyl]-
CAS No: 96964-42-0 Catalog No: AG0065PB MDL No:
Product Description
Catalog Number:
AG0065PB
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[2-(8-phenyloctyl)phenyl]-
CAS Number:
96964-42-0
Molecular Formula:
C25H33NO
Molecular Weight:
363.5356
IUPAC Name:
4,4-dimethyl-2-[2-(8-phenyloctyl)phenyl]-5H-1,3-oxazole
InChI:
InChI=1S/C25H33NO/c1-25(2)20-27-24(26-25)23-19-13-12-18-22(23)17-11-6-4-3-5-8-14-21-15-9-7-10-16-21/h7,9-10,12-13,15-16,18-19H,3-6,8,11,14,17,20H2,1-2H3
InChI Key:
KKSIRQHXZKAMDI-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1ccccc1CCCCCCCCc1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.256g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.545g/mol
Monoisotopic Mass:
363.256g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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