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79406-45-4 | 1,3,5-Hexatriene, 3-ethyl-
CAS No: 79406-45-4 Catalog No: AG005K6Q MDL No:
Product Description
Catalog Number:
AG005K6Q
Chemical Name:
1,3,5-Hexatriene, 3-ethyl-
CAS Number:
79406-45-4
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
3-ethylhexa-1,3,5-triene
InChI:
InChI=1S/C8H12/c1-4-7-8(5-2)6-3/h4-5,7H,1-2,6H2,3H3
InChI Key:
JZKZOXPQWTXRGD-UHFFFAOYSA-N
SMILES:
C=CC=C(C=C)CC
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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