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190522-49-7 | 6-Octenal, 8-oxo-8-phenyl-, (6E)-
CAS No: 190522-49-7 Catalog No: AG002EM3 MDL No:
Product Description
Catalog Number:
AG002EM3
Chemical Name:
6-Octenal, 8-oxo-8-phenyl-, (6E)-
CAS Number:
190522-49-7
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
8-oxo-8-phenyloct-6-enal
InChI:
InChI=1S/C14H16O2/c15-12-8-3-1-2-7-11-14(16)13-9-5-4-6-10-13/h4-7,9-12H,1-3,8H2
InChI Key:
CYANNSZLLVWFKH-UHFFFAOYSA-N
SMILES:
O=CCCCC/C=C/C(=O)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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