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16397-75-4 | Hexanoic acid, 2-ethylhexyl ester
CAS No: 16397-75-4 Catalog No: AG001UK8 MDL No:
Product Description
Catalog Number:
AG001UK8
Chemical Name:
Hexanoic acid, 2-ethylhexyl ester
CAS Number:
16397-75-4
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
2-ethylhexyl hexanoate
InChI:
InChI=1S/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3
InChI Key:
QRNFTMKPBPCPJO-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCC(CCCC)CC
EC Number:
240-447-0
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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