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88521-97-5 | Benzene, (1E)-1-octen-3-ynyl-
CAS No: 88521-97-5 Catalog No: AG0048T6 MDL No:
Product Description
Catalog Number:
AG0048T6
Chemical Name:
Benzene, (1E)-1-octen-3-ynyl-
CAS Number:
88521-97-5
Molecular Formula:
C14H16
Molecular Weight:
184.2768
IUPAC Name:
oct-1-en-3-ynylbenzene
InChI:
InChI=1S/C14H16/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7-13H,2-4H2,1H3
InChI Key:
XGLYPTIUNDWMBE-UHFFFAOYSA-N
SMILES:
CCCCC#C/C=C/c1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.125g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.282g/mol
Monoisotopic Mass:
184.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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