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137028-99-0 | 1H-Cyclopent[c]isoxazole, 3,5,6,6a-tetrahydro-1,3,3-triphenyl-
CAS No: 137028-99-0 Catalog No: AG0012Q3 MDL No:
Product Description
Catalog Number:
AG0012Q3
Chemical Name:
1H-Cyclopent[c]isoxazole, 3,5,6,6a-tetrahydro-1,3,3-triphenyl-
CAS Number:
137028-99-0
Molecular Formula:
C24H21NO
Molecular Weight:
339.4296
IUPAC Name:
1,3,3-triphenyl-6,6a-dihydro-5H-cyclopenta[c][1,2]oxazole
InChI:
InChI=1S/C24H21NO/c1-4-11-19(12-5-1)24(20-13-6-2-7-14-20)22-17-10-18-23(22)25(26-24)21-15-8-3-9-16-21/h1-9,11-17,23H,10,18H2
InChI Key:
REYNTRVSGBFABH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1OC(C2=CCCC12)(c1ccccc1)c1ccccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.438g/mol
Monoisotopic Mass:
339.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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