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Home > Other Heterocycles > 127972-61-6
127972-61-6 | 2,2'-Spirobi[2H-indene]-1,1',3,3'-tetrone
CAS No: 127972-61-6 Catalog No: AG000XMQ MDL No:
Product Description
Catalog Number:
AG000XMQ
Chemical Name:
2,2'-Spirobi[2H-indene]-1,1',3,3'-tetrone
CAS Number:
127972-61-6
Molecular Formula:
C17H8O4
Molecular Weight:
276.2430
IUPAC Name:
2,2'-spirobi[indene]-1,1',3,3'-tetrone
InChI:
InChI=1S/C17H8O4/c18-13-9-5-1-2-6-10(9)14(19)17(13)15(20)11-7-3-4-8-12(11)16(17)21/h1-8H
InChI Key:
GNTWPAAVTOMFML-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C21C(=O)c1c(C2=O)cccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.042g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.247g/mol
Monoisotopic Mass:
276.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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