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14659-67-7 | Isoxazole, 4,5-dihydro-3,4,5-triphenyl-
CAS No: 14659-67-7 Catalog No: AG001E68 MDL No:
Product Description
Catalog Number:
AG001E68
Chemical Name:
Isoxazole, 4,5-dihydro-3,4,5-triphenyl-
CAS Number:
14659-67-7
Molecular Formula:
C21H17NO
Molecular Weight:
299.3658
IUPAC Name:
3,4,5-triphenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C21H17NO/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15,19,21H
InChI Key:
DBJTVZXFRHLTLT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1C(ON=C1c1ccccc1)c1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.373g/mol
Monoisotopic Mass:
299.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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