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89579-51-1 | Benzene, (1-pentyl-1-hexenyl)-
CAS No: 89579-51-1 Catalog No: AG003XOO MDL No:
Product Description
Catalog Number:
AG003XOO
Chemical Name:
Benzene, (1-pentyl-1-hexenyl)-
CAS Number:
89579-51-1
Molecular Formula:
C17H26
Molecular Weight:
230.3883
IUPAC Name:
undec-5-en-6-ylbenzene
InChI:
InChI=1S/C17H26/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-12,14-15H,3-6,8-9,13H2,1-2H3
InChI Key:
DFPQTRAGWDDKHG-UHFFFAOYSA-N
SMILES:
CCCCCC(=CCCCC)c1ccccc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.203g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.395g/mol
Monoisotopic Mass:
230.203g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.1
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