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72705-83-0 | 5(4H)-Isoxazolone, 3-phenyl-4-(phenylmethyl)-
CAS No: 72705-83-0 Catalog No: AG005FMQ MDL No:
Product Description
Catalog Number:
AG005FMQ
Chemical Name:
5(4H)-Isoxazolone, 3-phenyl-4-(phenylmethyl)-
CAS Number:
72705-83-0
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
4-benzyl-3-phenyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-10,14H,11H2
InChI Key:
BGJVSKFHTPNSOJ-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1Cc1ccccc1)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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