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88409-19-2 | Cyclooct[d]isoxazole, 4,5,6,7,8,9-hexahydro-3-(2,4,6-trimethylphenyl)-
CAS No: 88409-19-2 Catalog No: AG004F31 MDL No:
Product Description
Catalog Number:
AG004F31
Chemical Name:
Cyclooct[d]isoxazole, 4,5,6,7,8,9-hexahydro-3-(2,4,6-trimethylphenyl)-
CAS Number:
88409-19-2
Molecular Formula:
C18H23NO
Molecular Weight:
269.3813
IUPAC Name:
3-(2,4,6-trimethylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole
InChI:
InChI=1S/C18H23NO/c1-12-10-13(2)17(14(3)11-12)18-15-8-6-4-5-7-9-16(15)20-19-18/h10-11H,4-9H2,1-3H3
InChI Key:
PFLRUAUNZUGIGE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1noc2c1CCCCCC2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.388g/mol
Monoisotopic Mass:
269.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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