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141791-68-6 | Decanoic acid, 10-oxo-, 2-ethylhexyl ester
CAS No: 141791-68-6 Catalog No: AG001H6R MDL No:
Product Description
Catalog Number:
AG001H6R
Chemical Name:
Decanoic acid, 10-oxo-, 2-ethylhexyl ester
CAS Number:
141791-68-6
Molecular Formula:
C18H34O3
Molecular Weight:
298.4608
IUPAC Name:
2-ethylhexyl 10-oxodecanoate
InChI:
InChI=1S/C18H34O3/c1-3-5-13-17(4-2)16-21-18(20)14-11-9-7-6-8-10-12-15-19/h15,17H,3-14,16H2,1-2H3
InChI Key:
WHCJDICYGBZZKT-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCCCCCCCC=O)CC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.251g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.467g/mol
Monoisotopic Mass:
298.251g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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