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123301-01-9 | 2-Octenal, 8-ethoxy-2,6-dimethyl-, (2E)-
CAS No: 123301-01-9 Catalog No: AG000KB0 MDL No:
Product Description
Catalog Number:
AG000KB0
Chemical Name:
2-Octenal, 8-ethoxy-2,6-dimethyl-, (2E)-
CAS Number:
123301-01-9
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
8-ethoxy-2,6-dimethyloct-2-enal
InChI:
InChI=1S/C12H22O2/c1-4-14-9-8-11(2)6-5-7-12(3)10-13/h7,10-11H,4-6,8-9H2,1-3H3
InChI Key:
ONGHYWFMJZKSNZ-UHFFFAOYSA-N
SMILES:
CCOCCC(CC/C=C(/C=O)\C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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