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73947-30-5 | Decanoic acid,2-ethylhexyl ester
CAS No: 73947-30-5 Catalog No: AG005IV9 MDL No:
Product Description
Catalog Number:
AG005IV9
Chemical Name:
Decanoic acid,2-ethylhexyl ester
CAS Number:
73947-30-5
Molecular Formula:
C18H36O2
Molecular Weight:
284.4772
IUPAC Name:
2-ethylhexyl decanoate
InChI:
InChI=1S/C18H36O2/c1-4-7-9-10-11-12-13-15-18(19)20-16-17(6-3)14-8-5-2/h17H,4-16H2,1-3H3
InChI Key:
XEYIWOWYMLEPSD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCC(CCCC)CC
EC Number:
277-647-2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.272g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.484g/mol
Monoisotopic Mass:
284.272g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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