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Home > Other Building Blocks > 139542-80-6
139542-80-6 | 15,17,19,21,23,25-Tetracontahexayne
CAS No: 139542-80-6 Catalog No: AG001B79 MDL No:
Product Description
Catalog Number:
AG001B79
Chemical Name:
15,17,19,21,23,25-Tetracontahexayne
CAS Number:
139542-80-6
Molecular Formula:
C40H58
Molecular Weight:
538.8885
IUPAC Name:
tetraconta-15,17,19,21,23,25-hexayne
InChI:
InChI=1S/C40H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChI Key:
ZVJSYQMQZYQALB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC#CC#CC#CC#CC#CC#CCCCCCCCCCCCCCC
Properties
Complexity:
914
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.454g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.904g/mol
Monoisotopic Mass:
538.454g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.3
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