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160424-29-3 | 1H,3H-Pyrrolo[1,2-c]oxazol-3-one, tetrahydro-1,1-diphenyl-, (7aS)-
CAS No: 160424-29-3 Catalog No: AG001RWR MDL No:
Product Description
Catalog Number:
AG001RWR
Chemical Name:
1H,3H-Pyrrolo[1,2-c]oxazol-3-one, tetrahydro-1,1-diphenyl-, (7aS)-
CAS Number:
160424-29-3
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
InChI:
InChI=1S/C18H17NO2/c20-17-19-13-7-12-16(19)18(21-17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChI Key:
BEXXCWDIWBCVFX-UHFFFAOYSA-N
SMILES:
O=C1OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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