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782504-07-8 | Methanone, bis(9,9'-spirobi[9H-fluoren]-2-yl)-
CAS No: 782504-07-8 Catalog No: AG0054AL MDL No:
Product Description
Catalog Number:
AG0054AL
Chemical Name:
Methanone, bis(9,9'-spirobi[9H-fluoren]-2-yl)-
CAS Number:
782504-07-8
Molecular Formula:
C51H30O
Molecular Weight:
658.7833
IUPAC Name:
bis(9,9'-spirobi[fluorene]-2-yl)methanone
InChI:
InChI=1S/C51H30O/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51/h1-30H
InChI Key:
OCHLUUFRAVAYIM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2c1cccc2)c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2c1cccc2
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
658.23g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
658.8g/mol
Monoisotopic Mass:
658.23g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
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