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868748-79-2 | 5(4H)-Oxazolone,2-phenyl-4-(tetrahydro-2H-pyran-4-yl)-
CAS No: 868748-79-2 Catalog No: AG004ICB MDL No:
Product Description
Catalog Number:
AG004ICB
Chemical Name:
5(4H)-Oxazolone,2-phenyl-4-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
868748-79-2
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
4-(oxan-4-yl)-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C14H15NO3/c16-14-12(10-6-8-17-9-7-10)15-13(18-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChI Key:
RYPJDIUJXVAPBE-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1C1CCOCC1)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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