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104266-88-8 | 2-Oxazolidinone, 3-(1-oxo-4-pentenyl)-4-(phenylmethyl)-, (4S)-
CAS No: 104266-88-8 Catalog No: AG00864O MDL No:MFCD09271774
Product Description
Catalog Number:
AG00864O
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-4-pentenyl)-4-(phenylmethyl)-, (4S)-
CAS Number:
104266-88-8
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD09271774
IUPAC Name:
(4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C15H17NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h2,4-8,13H,1,3,9-11H2/t13-/m0/s1
InChI Key:
VKEZZGBUHSYSJM-ZDUSSCGKSA-N
SMILES:
C=CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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