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88217-56-5 | 4-Morpholinehexanoic acid, 2,6-dimethyl-, 2-ethylhexyl ester
CAS No: 88217-56-5 Catalog No: AG004BQQ MDL No:
Product Description
Catalog Number:
AG004BQQ
Chemical Name:
4-Morpholinehexanoic acid, 2,6-dimethyl-, 2-ethylhexyl ester
CAS Number:
88217-56-5
Molecular Formula:
C20H39NO3
Molecular Weight:
341.5286
IUPAC Name:
2-ethylhexyl 6-(2,6-dimethylmorpholin-4-yl)hexanoate
InChI:
InChI=1S/C20H39NO3/c1-5-7-11-19(6-2)16-23-20(22)12-9-8-10-13-21-14-17(3)24-18(4)15-21/h17-19H,5-16H2,1-4H3
InChI Key:
KMFJEHKWBQULRA-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCCCCN1CC(C)OC(C1)C)CC
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.293g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.536g/mol
Monoisotopic Mass:
341.293g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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