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847908-88-7 | Hexanoic acid, 2-ethyl-, 2-[2-(benzoyloxy)ethoxy]ethyl ester
CAS No: 847908-88-7 Catalog No: AG004RGV MDL No:
Product Description
Catalog Number:
AG004RGV
Chemical Name:
Hexanoic acid, 2-ethyl-, 2-[2-(benzoyloxy)ethoxy]ethyl ester
CAS Number:
847908-88-7
Molecular Formula:
C19H28O5
Molecular Weight:
336.4226
IUPAC Name:
2-[2-(2-ethylhexanoyloxy)ethoxy]ethyl benzoate
InChI:
InChI=1S/C19H28O5/c1-3-5-9-16(4-2)18(20)23-14-12-22-13-15-24-19(21)17-10-7-6-8-11-17/h6-8,10-11,16H,3-5,9,12-15H2,1-2H3
InChI Key:
QLYBPFUPYOITBJ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCCOCCOC(=O)c1ccccc1)CC
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.428g/mol
Monoisotopic Mass:
336.194g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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