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27764-62-1 | 1,7,13-Cyclooctadecatriene-3,5,9,11,15,17-hexayne
CAS No: 27764-62-1 Catalog No: AG002UOE MDL No:
Product Description
Catalog Number:
AG002UOE
Chemical Name:
1,7,13-Cyclooctadecatriene-3,5,9,11,15,17-hexayne
CAS Number:
27764-62-1
Molecular Formula:
C18H6
Molecular Weight:
222.2402
IUPAC Name:
cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne
InChI:
InChI=1S/C18H6/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-2,11-14H
InChI Key:
RHOOSKAZOQOZQB-UHFFFAOYSA-N
SMILES:
C1=CC#CC#CC=CC#CC#CC=CC#CC#C1
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.246g/mol
Monoisotopic Mass:
222.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.7
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