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122603-35-4 | Benzene, [(1E)-2-methyl-1,5-hexadien-1-yl]-
CAS No: 122603-35-4 Catalog No: AG0017IQ MDL No:
Product Description
Catalog Number:
AG0017IQ
Chemical Name:
Benzene, [(1E)-2-methyl-1,5-hexadien-1-yl]-
CAS Number:
122603-35-4
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
2-methylhexa-1,5-dienylbenzene
InChI:
InChI=1S/C13H16/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,5-7,9-11H,1,4,8H2,2H3
InChI Key:
CKBGSMCNYULSRY-UHFFFAOYSA-N
SMILES:
C=CCC/C(=C/c1ccccc1)/C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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