Name: Name:1,4,5,6,7,7A-HEXAHYDRO-INDEN-2-ONE
Brand: Angene
SKU: AG01E718
Rating: 90 (10 reviews)

1,4,5,6,7,7A-HEXAHYDRO-INDEN-2-ONE

CAS No.:

39163-29-6

Catalog Number:

AG01E718

Molecular Formula:

C9H12O

Molecular Weight:

136.1910

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Purity

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Price(USD)

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Product Description

Catalog Number:

AG01E718

Chemical Name:

1,4,5,6,7,7A-HEXAHYDRO-INDEN-2-ONE

CAS Number:

39163-29-6

Molecular Formula:

C9H12O

Molecular Weight:

136.1910

MDL Number:

MFCD00183554

IUPAC Name:

1,4,5,6,7,7a-hexahydroinden-2-one

InChI:

InChI=1S/C9H12O/c10-9-5-7-3-1-2-4-8(7)6-9/h5,8H,1-4,6H2

InChI Key:

VJESNDWIKWQBSV-UHFFFAOYSA-N

SMILES:

O=C1CC2C(=C1)CCCC2

NSC Number:

246177

Properties

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

136.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

136.194g/mol

Monoisotopic Mass:

136.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Rhodium(I)-catalyzed intramolecular pauson-khand-type [2 + 2 + 1] cycloaddition of allenenes.	Organic letters 20060316