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84006-72-4 | Undecanoic acid,1-methyl-2-[(2-phenoxyacetyl)oxy]propyl ester
CAS No: 84006-72-4 Catalog No: AG004QFT MDL No:
Product Description
Catalog Number:
AG004QFT
Chemical Name:
Undecanoic acid,1-methyl-2-[(2-phenoxyacetyl)oxy]propyl ester
CAS Number:
84006-72-4
Molecular Formula:
C23H36O5
Molecular Weight:
392.5289
IUPAC Name:
3-(2-phenoxyacetyl)oxybutan-2-yl undecanoate
InChI:
InChI=1S/C23H36O5/c1-4-5-6-7-8-9-10-14-17-22(24)27-19(2)20(3)28-23(25)18-26-21-15-12-11-13-16-21/h11-13,15-16,19-20H,4-10,14,17-18H2,1-3H3
InChI Key:
RTACBFFTGVMKMY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(=O)OC(C(OC(=O)COc1ccccc1)C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.256g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.536g/mol
Monoisotopic Mass:
392.256g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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