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84006-25-7 | Undecanoic acid,1-methyl-2-[(1-oxohexyl)oxy]propyl ester
CAS No: 84006-25-7 Catalog No: AG0051RT MDL No:
Product Description
Catalog Number:
AG0051RT
Chemical Name:
Undecanoic acid,1-methyl-2-[(1-oxohexyl)oxy]propyl ester
CAS Number:
84006-25-7
Molecular Formula:
C21H40O4
Molecular Weight:
356.5399
IUPAC Name:
3-hexanoyloxybutan-2-yl undecanoate
InChI:
InChI=1S/C21H40O4/c1-5-7-9-10-11-12-13-15-17-21(23)25-19(4)18(3)24-20(22)16-14-8-6-2/h18-19H,5-17H2,1-4H3
InChI Key:
LHOYOTGDPNOGNR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(=O)OC(C(OC(=O)CCCCC)C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.293g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.547g/mol
Monoisotopic Mass:
356.293g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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