2 5-Didodecyl-1 4-di-1-propynylbenzene

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Catalog Number
ACM219628010
Product Name
2 5-Didodecyl-1 4-di-1-propynylbenzene
Structure
Structure
CAS
219628-01-0
Category
Organic & Printed Electronics
IUPAC Name
1,4-didodecyl-2,5-bis(prop-1-ynyl)benzene
Molecular Weight
490.8g/mol
Molecular Formula
C36H58
Canonical SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1C#CC)CCCCCCCCCCCC)C#CC
InChI
InChI=1S/C36H58/c1-5-9-11-13-15-17-19-21-23-25-29-35-31-34(28-8-4)36(32-33(35)27-7-3)30-26-24-22-20-18-16-14-12-10-6-2/h31-32H,5-6,9-26,29-30H2,1-4H3
InChI Key
QCWGPRMXEPJPFN-UHFFFAOYSA-N
Complexity
559
Covalently-Bonded Unit Count
1
Exact Mass
490.453852g/mol
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
36
Monoisotopic Mass
490.453852g/mol
Rotatable Bond Count
24
XLogP3
15.9
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