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88239-03-6 | Undecanoic acid, 4-[(acetyloxy)methyl]-5-oxo-, methyl ester
CAS No: 88239-03-6 Catalog No: AG004AUG MDL No:
Product Description
Catalog Number:
AG004AUG
Chemical Name:
Undecanoic acid, 4-[(acetyloxy)methyl]-5-oxo-, methyl ester
CAS Number:
88239-03-6
Molecular Formula:
C15H26O5
Molecular Weight:
286.3639
IUPAC Name:
methyl 4-(acetyloxymethyl)-5-oxoundecanoate
InChI:
InChI=1S/C15H26O5/c1-4-5-6-7-8-14(17)13(11-20-12(2)16)9-10-15(18)19-3/h13H,4-11H2,1-3H3
InChI Key:
RXTXIOBJJYJPNC-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C(CCC(=O)OC)COC(=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.368g/mol
Monoisotopic Mass:
286.178g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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