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112459-79-7 | (S)-4-Benzyl-3-butyryloxazolidin-2-one
CAS No: 112459-79-7 Catalog No: AG007T9F MDL No:
Product Description
Catalog Number:
AG007T9F
Chemical Name:
(S)-4-Benzyl-3-butyryloxazolidin-2-one
CAS Number:
112459-79-7
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
(4S)-4-benzyl-3-butanoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H17NO3/c1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m0/s1
InChI Key:
HEJIYTVOUUVHRY-LBPRGKRZSA-N
SMILES:
CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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