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Home > Other Building Blocks > 88218-66-0
88218-66-0 | 2,6-Octadienal, 8-(benzoyloxy)-2,6-dimethyl-, (E,E)-
CAS No: 88218-66-0 Catalog No: AG004DFK MDL No:
Product Description
Catalog Number:
AG004DFK
Chemical Name:
2,6-Octadienal, 8-(benzoyloxy)-2,6-dimethyl-, (E,E)-
CAS Number:
88218-66-0
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
IUPAC Name:
(3,7-dimethyl-8-oxoocta-2,6-dienyl) benzoate
InChI:
InChI=1S/C17H20O3/c1-14(7-6-8-15(2)13-18)11-12-20-17(19)16-9-4-3-5-10-16/h3-5,8-11,13H,6-7,12H2,1-2H3
InChI Key:
OSLSLDHLNOCJQN-UHFFFAOYSA-N
SMILES:
O=C/C(=C/CC/C(=C/COC(=O)c1ccccc1)/C)/C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.344g/mol
Monoisotopic Mass:
272.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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