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116381-15-8 | 2,4,6,8-Nonatetraenal, 9-(2-iodophenyl)-3,7-dimethyl-
CAS No: 116381-15-8 Catalog No: AG000CCA MDL No:
Product Description
Catalog Number:
AG000CCA
Chemical Name:
2,4,6,8-Nonatetraenal, 9-(2-iodophenyl)-3,7-dimethyl-
CAS Number:
116381-15-8
Molecular Formula:
C17H17IO
Molecular Weight:
364.2208
IUPAC Name:
9-(2-iodophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal
InChI:
InChI=1S/C17H17IO/c1-14(6-5-7-15(2)12-13-19)10-11-16-8-3-4-9-17(16)18/h3-13H,1-2H3
InChI Key:
JSVGQNXABXNEQC-UHFFFAOYSA-N
SMILES:
O=CC=C(C=CC=C(C=Cc1ccccc1I)C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.226g/mol
Monoisotopic Mass:
364.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
5.6
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