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1H-Indene,5,5'-(1,10-decanediyl)bis[2,3-dihydro- 55282-70-7 98%
【Name】
1H-Indene,5,5'-(1,10-decanediyl)bis[2,3-dihydro-
【CAS Registry number】
55282-70-7
【Synonyms】
NSC 111322
【Molecular Formula】
C28H38 (Products with the same molecular formula)
【Molecular Weight】
374.6013
【Inchi】
InChI=1/C28H38/c1(3-5-7-11-23-17-19-25-13-9-15-27(25)21-23)2-4-6-8-12-24-18-20-26-14-10-16-28(26)22-24/h17-22H,1-16H2
【Canonical SMILES】
C1CC2=C(C1)C=C(C=C2)CCCCCCCCCCC3=CC4=C(CCC4)C=C3
【MOL File】
55282-70-7.mol
Chemical and Physical Properties
【Density】
1.003g/cm3
【Boiling Point】
508°Cat760mmHg
【Refractive Index】
1.565
【Flash Point】
299.1°C
【Computed Properties】
Molecular Weight:374.60132 [g/mol]
Molecular Formula:C28H38
XLogP3-AA:10.1
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:11
Exact Mass:374.297351
MonoIsotopic Mass:374.297351
Topological Polar Surface Area:0
Heavy Atom Count:28
Formal Charge:0
Complexity:386
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:4
Effective Rotor Count:12.2
Conformer Sampling RMSD:1.4
CID Conformer Count:146
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