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204711-93-3 | 2-Oxazolidinone, 3-(1-oxo-6-hepten-1-yl)-4-(phenylmethyl)-, (4S)-
CAS No: 204711-93-3 Catalog No: AG0029NX MDL No:
Product Description
Catalog Number:
AG0029NX
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-6-hepten-1-yl)-4-(phenylmethyl)-, (4S)-
CAS Number:
204711-93-3
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
IUPAC Name:
(4S)-4-benzyl-3-hept-6-enoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C17H21NO3/c1-2-3-4-8-11-16(19)18-15(13-21-17(18)20)12-14-9-6-5-7-10-14/h2,5-7,9-10,15H,1,3-4,8,11-13H2/t15-/m0/s1
InChI Key:
ONJGPYHXSKTMLZ-HNNXBMFYSA-N
SMILES:
C=CCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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