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143123-68-6 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[2-(1,3,3-trimethylbutyl)phenyl]-
CAS No: 143123-68-6 Catalog No: AG007Z40 MDL No:
Product Description
Catalog Number:
AG007Z40
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[2-(1,3,3-trimethylbutyl)phenyl]-
CAS Number:
143123-68-6
Molecular Formula:
C18H27NO
Molecular Weight:
273.4131
IUPAC Name:
2-[2-(4,4-dimethylpentan-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C18H27NO/c1-13(11-17(2,3)4)14-9-7-8-10-15(14)16-19-18(5,6)12-20-16/h7-10,13H,11-12H2,1-6H3
InChI Key:
MAHFEDHFHRKNIA-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1C1=NC(CO1)(C)C)CC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.42g/mol
Monoisotopic Mass:
273.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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