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185201-02-9 | 2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-
CAS No: 185201-02-9 Catalog No: AG0074JQ MDL No:
Product Description
Catalog Number:
AG0074JQ
Chemical Name:
2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-
CAS Number:
185201-02-9
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
IUPAC Name:
(4S)-4-benzyl-3-[(4S)-4-methylhexanoyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C17H23NO3/c1-3-13(2)9-10-16(19)18-15(12-21-17(18)20)11-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-,15-/m0/s1
InChI Key:
OFZAKQYEOCBNIN-ZFWWWQNUSA-N
SMILES:
CC[C@@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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