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88430-77-7 | Spiro[cyclopentane-1,9'-[9H]fluorene]-2,3-dione, 4-(phenylsulfonyl)-
CAS No: 88430-77-7 Catalog No: AG004ES8 MDL No:
Product Description
Catalog Number:
AG004ES8
Chemical Name:
Spiro[cyclopentane-1,9'-[9H]fluorene]-2,3-dione, 4-(phenylsulfonyl)-
CAS Number:
88430-77-7
Molecular Formula:
C23H16O4S
Molecular Weight:
388.4357
IUPAC Name:
5-(benzenesulfonyl)spiro[cyclopentane-3,9'-fluorene]-1,2-dione
InChI:
InChI=1S/C23H16O4S/c24-21-20(28(26,27)15-8-2-1-3-9-15)14-23(22(21)25)18-12-6-4-10-16(18)17-11-5-7-13-19(17)23/h1-13,20H,14H2
InChI Key:
JCRIPFDYTMDRHF-UHFFFAOYSA-N
SMILES:
O=C1C(CC2(C1=O)c1ccccc1c1c2cccc1)S(=O)(=O)c1ccccc1
NSC Number:
625633
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.077g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.437g/mol
Monoisotopic Mass:
388.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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