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116950-01-7 | 5H-Oxazolo[3,2-a]pyridin-5-one, hexahydro-3-(hydroxymethyl)-8a-methyl-2-phenyl-, (2S,3S,8aR)-
CAS No: 116950-01-7 Catalog No: AG000DF5 MDL No:
Product Description
Catalog Number:
AG000DF5
Chemical Name:
5H-Oxazolo[3,2-a]pyridin-5-one, hexahydro-3-(hydroxymethyl)-8a-methyl-2-phenyl-, (2S,3S,8aR)-
CAS Number:
116950-01-7
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
InChI:
InChI=1S/C15H19NO3/c1-15-9-5-8-13(18)16(15)12(10-17)14(19-15)11-6-3-2-4-7-11/h2-4,6-7,12,14,17H,5,8-10H2,1H3
InChI Key:
HMPLCFQDHIGQMF-UHFFFAOYSA-N
SMILES:
OC[C@H]1[C@@H](O[C@]2(N1C(=O)CCC2)C)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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