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80054-40-6 | 2,6-Octadienedial, 2,6-dimethyl-, (E,E)-
CAS No: 80054-40-6 Catalog No: AG0055A9 MDL No:
Product Description
Catalog Number:
AG0055A9
Chemical Name:
2,6-Octadienedial, 2,6-dimethyl-, (E,E)-
CAS Number:
80054-40-6
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
(2E,6E)-2,6-dimethylocta-2,6-dienedial
InChI:
InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+
InChI Key:
GRHWFPUCRVCMRY-TXFIJWAUSA-N
SMILES:
O=C/C=C(/CC/C=C(/C=O)\C)\C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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