CAS 1489-28-7 | 5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro- | CAS Number 1489-28-7

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1489-28-7 | 5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-

CAS No: 1489-28-7 Catalog No: AG001L9K MDL No:MFCD24687895

Product Description

Catalog Number:

AG001L9K

Chemical Name:

5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-

CAS Number:

1489-28-7

Molecular Formula:

C9H12O

Molecular Weight:

136.1910

MDL Number:

MFCD24687895

IUPAC Name:

1,2,3,6,7,7a-hexahydroinden-5-one

InChI:

InChI=1S/C9H12O/c10-9-5-4-7-2-1-3-8(7)6-9/h6-7H,1-5H2

InChI Key:

LDRDSZBEUAPYIR-UHFFFAOYSA-N

SMILES:

O=C1CCC2C(=C1)CCC2

NSC Number:

127545

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:

1.4

Literature

Title	Journal
Stereoselective total syntheses of uncommon sesquiterpenoids isolated from Jatropha neopauciflora.	Organic letters 20080619
Mo(CO)6- and [Rh(CO)2Cl]2-catalyzed allenic cyclocarbonylation reactions of alkynones: efficient access to bicyclic dienediones.	Organic letters 20080306