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5137-56-4 | 4,5-dihydro-3,5-diphenylisoxazole
CAS No: 5137-56-4 Catalog No: AG006WGB MDL No:
Product Description
Catalog Number:
AG006WGB
Chemical Name:
4,5-dihydro-3,5-diphenylisoxazole
CAS Number:
5137-56-4
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
tris-decyl(methyl)azanium;chloride
InChI:
InChI=1S/C31H66N.ClH/c1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;/h5-31H2,1-4H3;1H/q+1;/p-1
InChI Key:
UMMDBKGUDMBUSR-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C1ON=C(C1)c1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.488g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.326g/mol
Monoisotopic Mass:
487.488g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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