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88430-76-6 | Spiro[cyclopentane-1,9'-[9H]fluorene]-3-carbonitrile, 4,5-dioxo-
CAS No: 88430-76-6 Catalog No: AG004HMW MDL No:
Product Description
Catalog Number:
AG004HMW
Chemical Name:
Spiro[cyclopentane-1,9'-[9H]fluorene]-3-carbonitrile, 4,5-dioxo-
CAS Number:
88430-76-6
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
IUPAC Name:
2,3-dioxospiro[cyclopentane-4,9'-fluorene]-1-carbonitrile
InChI:
InChI=1S/C18H11NO2/c19-10-11-9-18(17(21)16(11)20)14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-8,11H,9H2
InChI Key:
NBZRKLUWTXMVFR-UHFFFAOYSA-N
SMILES:
N#CC1CC2(C(=O)C1=O)c1ccccc1c1c2cccc1
NSC Number:
625634
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.291g/mol
Monoisotopic Mass:
273.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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