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278176-14-0 | 9H-Fluorene, 9,9-bis[(3S)-3,7-dimethyloctyl]-2,7-di-1-propyn-1-yl-
CAS No: 278176-14-0 Catalog No: AG002UTV MDL No:
Product Description
Catalog Number:
AG002UTV
Chemical Name:
9H-Fluorene, 9,9-bis[(3S)-3,7-dimethyloctyl]-2,7-di-1-propyn-1-yl-
CAS Number:
278176-14-0
Molecular Formula:
C39H54
Molecular Weight:
522.8461
IUPAC Name:
9,9-bis(3,7-dimethyloctyl)-2,7-bis(prop-1-ynyl)fluorene
InChI:
InChI=1S/C39H54/c1-9-13-33-19-21-35-36-22-20-34(14-10-2)28-38(36)39(37(35)27-33,25-23-31(7)17-11-15-29(3)4)26-24-32(8)18-12-16-30(5)6/h19-22,27-32H,11-12,15-18,23-26H2,1-8H3
InChI Key:
ZNUBKBKYSFWKMS-UHFFFAOYSA-N
SMILES:
C[C@@H](CCCC(C)C)CCC1(CC[C@H](CCCC(C)C)C)c2cc(ccc2c2c1cc(cc2)C#CC)C#CC
Properties
Complexity:
775
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.423g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.861g/mol
Monoisotopic Mass:
522.423g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
14.5
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