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137917-39-6 | Octadecanoic acid, 12-[(4,4-dimethyl-3-oxazolidinyl)oxy]-, methyl ester
CAS No: 137917-39-6 Catalog No: AG007L6F MDL No:
Product Description
Catalog Number:
AG007L6F
Chemical Name:
Octadecanoic acid, 12-[(4,4-dimethyl-3-oxazolidinyl)oxy]-, methyl ester
CAS Number:
137917-39-6
Molecular Formula:
C24H47NO4
Molecular Weight:
413.6343
IUPAC Name:
methyl 12-[(4,4-dimethyl-1,3-oxazolidin-3-yl)oxy]octadecanoate
InChI:
InChI=1S/C24H47NO4/c1-5-6-7-14-17-22(29-25-21-28-20-24(25,2)3)18-15-12-10-8-9-11-13-16-19-23(26)27-4/h22H,5-21H2,1-4H3
InChI Key:
DBFDNDUNBHXGIT-UHFFFAOYSA-N
SMILES:
CCCCCCC(ON1COCC1(C)C)CCCCCCCCCCC(=O)OC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.351g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.643g/mol
Monoisotopic Mass:
413.351g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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