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80719-69-3 | 2-Oxazolidinone, 4-(1-methylethyl)-3-(1-oxodecyl)-, (S)-
CAS No: 80719-69-3 Catalog No: AG0058DJ MDL No:
Product Description
Catalog Number:
AG0058DJ
Chemical Name:
2-Oxazolidinone, 4-(1-methylethyl)-3-(1-oxodecyl)-, (S)-
CAS Number:
80719-69-3
Molecular Formula:
C16H29NO3
Molecular Weight:
283.4064
IUPAC Name:
(4S)-3-decanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C16H29NO3/c1-4-5-6-7-8-9-10-11-15(18)17-14(13(2)3)12-20-16(17)19/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChI Key:
IFRZFDSYBUSKTH-CQSZACIVSA-N
SMILES:
CCCCCCCCCC(=O)N1C(=O)OC[C@@H]1C(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
283.215g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.412g/mol
Monoisotopic Mass:
283.215g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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