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114119-59-4 | 1,3-Dioxolane-4-butanoic acid, 2-oxo-5-tetradecyl-, methyl ester
CAS No: 114119-59-4 Catalog No: AG000AM4 MDL No:
Product Description
Catalog Number:
AG000AM4
Chemical Name:
1,3-Dioxolane-4-butanoic acid, 2-oxo-5-tetradecyl-, methyl ester
CAS Number:
114119-59-4
Molecular Formula:
C22H40O5
Molecular Weight:
384.5500
IUPAC Name:
methyl 4-(2-oxo-5-tetradecyl-1,3-dioxolan-4-yl)butanoate
InChI:
InChI=1S/C22H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(27-22(24)26-19)17-15-18-21(23)25-2/h19-20H,3-18H2,1-2H3
InChI Key:
BBJULRYGINOEMW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC1OC(=O)OC1CCCC(=O)OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.288g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.557g/mol
Monoisotopic Mass:
384.288g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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