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88415-47-8 | Cyclooct[d]isoxazole, 6,7,8,9-tetrahydro-3-(2,4,6-trimethylphenyl)-
CAS No: 88415-47-8 Catalog No: AG004KN9 MDL No:
Product Description
Catalog Number:
AG004KN9
Chemical Name:
Cyclooct[d]isoxazole, 6,7,8,9-tetrahydro-3-(2,4,6-trimethylphenyl)-
CAS Number:
88415-47-8
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
3-(2,4,6-trimethylphenyl)-6,7,8,9-tetrahydrocycloocta[d][1,2]oxazole
InChI:
InChI=1S/C18H21NO/c1-12-10-13(2)17(14(3)11-12)18-15-8-6-4-5-7-9-16(15)20-19-18/h6,8,10-11H,4-5,7,9H2,1-3H3
InChI Key:
HHKHSVHVUUMENA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1noc2c1C=CCCCC2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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