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88620-43-3 | 3-Thiomorpholinecarboxylic acid, 5-oxo-, dodecyl ester
CAS No: 88620-43-3 Catalog No: AG004A5V MDL No:
Product Description
Catalog Number:
AG004A5V
Chemical Name:
3-Thiomorpholinecarboxylic acid, 5-oxo-, dodecyl ester
CAS Number:
88620-43-3
Molecular Formula:
C17H31NO3S
Molecular Weight:
329.4979
IUPAC Name:
dodecyl 5-oxothiomorpholine-3-carboxylate
InChI:
InChI=1S/C17H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-21-17(20)15-13-22-14-16(19)18-15/h15H,2-14H2,1H3,(H,18,19)
InChI Key:
OVVASIAATWRKQW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C1CSCC(=O)N1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.202g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.499g/mol
Monoisotopic Mass:
329.202g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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