CAS 2958-72-7 | 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5,7(1aH)-dione, hexahydro- | CAS Number 2958-72-7

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2958-72-7 | 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5,7(1aH)-dione, hexahydro-

CAS No: 2958-72-7 Catalog No: AG002YTG MDL No:

Product Description

Catalog Number:

AG002YTG

Chemical Name:

1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5,7(1aH)-dione, hexahydro-

CAS Number:

2958-72-7

Molecular Formula:

C11H10O2

Molecular Weight:

174.1959

IUPAC Name:

pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione

InChI:

InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2

InChI Key:

WTUFOKOJVXNYTJ-UHFFFAOYSA-N

SMILES:

O=C1C2C3C4C1C1C(=O)C2C(C3)C41

NSC Number:

122569

Properties

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.199g/mol

Monoisotopic Mass:

174.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Synthesis, evaluation and application of polycyclic fluorescent analogues as N-methyl-D-aspartate receptor and voltage gated calcium channel ligands.	European journal of medicinal chemistry 20111001
Synthesis of new pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8,11-dione (PCU) cyanosilylated derivatives using sulphated zirconia and hydrotalcite as catalysts in microwave-assisted reactions under solvent free conditions.	Molecules (Basel, Switzerland) 20110804
Trifluoromethyl derivatives of pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane.	Acta crystallographica. Section C, Crystal structure communications 20050401