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133729-84-7 | (3S,4S)-4-BENZYL-3-(3-METHYLPENTANOYL)-OXAZOLIDIN-2-ONE
CAS No: 133729-84-7 Catalog No: AG0080AS MDL No:
Product Description
Catalog Number:
AG0080AS
Chemical Name:
(3S,4S)-4-BENZYL-3-(3-METHYLPENTANOYL)-OXAZOLIDIN-2-ONE
CAS Number:
133729-84-7
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
(4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C16H21NO3/c1-3-12(2)9-15(18)17-14(11-20-16(17)19)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m0/s1
InChI Key:
KRDPQMGISZMVOQ-JSGCOSHPSA-N
SMILES:
CC[C@@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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