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125250-51-3 | 2,4,6-Octatriene, 4,5-dimethyl-, (E,E,Z)- (9CI)
CAS No: 125250-51-3 Catalog No: AG000NE4 MDL No:
Product Description
Catalog Number:
AG000NE4
Chemical Name:
2,4,6-Octatriene, 4,5-dimethyl-, (E,E,Z)- (9CI)
CAS Number:
125250-51-3
Molecular Formula:
C10H16
Molecular Weight:
136.2340
IUPAC Name:
4,5-dimethylocta-2,4,6-triene
InChI:
InChI=1S/C10H16/c1-5-7-9(3)10(4)8-6-2/h5-8H,1-4H3
InChI Key:
IHGNPUMAGSNQEJ-UHFFFAOYSA-N
SMILES:
C/C=C\C(=C(\C=C\C)/C)\C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.125g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.238g/mol
Monoisotopic Mass:
136.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.2
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