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101711-78-8 | (S)-4-Benzyl-3-propionyloxazolidin-2-one
CAS No: 101711-78-8 Catalog No: AG00327D MDL No:MFCD00269688
Product Description
Catalog Number:
AG00327D
Chemical Name:
(S)-4-Benzyl-3-propionyloxazolidin-2-one
CAS Number:
101711-78-8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD00269688
IUPAC Name:
(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChI Key:
WHOBYFHKONUTMW-NSHDSACASA-N
SMILES:
CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| A biomimetic polyketide-inspired approach to small-molecule ligand discovery. | Nature chemistry 20120201 |
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