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85406-06-0 | 2,4,6-Octatrienenitrile, 3,7-dimethyl-, (E,E)-
CAS No: 85406-06-0 Catalog No: AG004OFG MDL No:
Product Description
Catalog Number:
AG004OFG
Chemical Name:
2,4,6-Octatrienenitrile, 3,7-dimethyl-, (E,E)-
CAS Number:
85406-06-0
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
IUPAC Name:
3,7-dimethylocta-2,4,6-trienenitrile
InChI:
InChI=1S/C10H13N/c1-9(2)5-4-6-10(3)7-8-11/h4-7H,1-3H3
InChI Key:
KFPIOJAGLQCOPM-UHFFFAOYSA-N
SMILES:
N#C/C=C(/C=C/C=C(C)C)\C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.221g/mol
Monoisotopic Mass:
147.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.3
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