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101417-68-9 | 2,4,6-Octatrienedial, (2E,4E,6E)-
CAS No: 101417-68-9 Catalog No: AG0004F5 MDL No:
Product Description
Catalog Number:
AG0004F5
Chemical Name:
2,4,6-Octatrienedial, (2E,4E,6E)-
CAS Number:
101417-68-9
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
IUPAC Name:
octa-2,4,6-trienedial
InChI:
InChI=1S/C8H8O2/c9-7-5-3-1-2-4-6-8-10/h1-8H
InChI Key:
WHBHQMAXOAXILT-UHFFFAOYSA-N
SMILES:
O=C/C=C/C=C/C=C/C=O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
0.7
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