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93462-85-2 | Octanoic acid, [3-(1,1-dimethylethyl)-2-oxo-5-oxazolidinyl]methyl ester
CAS No: 93462-85-2 Catalog No: AG0062LR MDL No:
Product Description
Catalog Number:
AG0062LR
Chemical Name:
Octanoic acid, [3-(1,1-dimethylethyl)-2-oxo-5-oxazolidinyl]methyl ester
CAS Number:
93462-85-2
Molecular Formula:
C16H29NO4
Molecular Weight:
299.4058
IUPAC Name:
(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methyl octanoate
InChI:
InChI=1S/C16H29NO4/c1-5-6-7-8-9-10-14(18)20-12-13-11-17(15(19)21-13)16(2,3)4/h13H,5-12H2,1-4H3
InChI Key:
AZQXDSIFHAJRMP-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCC1OC(=O)N(C1)C(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.21g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.411g/mol
Monoisotopic Mass:
299.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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