CAS 770-15-0 | Bicyclo[3.3.1]nonane-3,7-dione | CAS Number 770-15-0

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770-15-0 | Bicyclo[3.3.1]nonane-3,7-dione

CAS No: 770-15-0 Catalog No: AG003O6U MDL No:MFCD22575204

Product Description

Catalog Number:

AG003O6U

Chemical Name:

Bicyclo[3.3.1]nonane-3,7-dione

CAS Number:

770-15-0

Molecular Formula:

C9H12O2

Molecular Weight:

152.1904

MDL Number:

MFCD22575204

IUPAC Name:

bicyclo[3.3.1]nonane-3,7-dione

InChI:

InChI=1S/C9H12O2/c10-8-2-6-1-7(4-8)5-9(11)3-6/h6-7H,1-5H2

InChI Key:

KIKCULSOJJAIEB-UHFFFAOYSA-N

SMILES:

O=C1CC2CC(C1)CC(=O)C2

Properties

Complexity:

170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.193g/mol

Monoisotopic Mass:

152.084g/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
Huprines as a new family of dual acting trypanocidal-antiplasmodial agents.	Bioorganic & medicinal chemistry 20110301
H-bond-driven supramolecular architectures of the syn and anti isomers of the dioxime of bicyclo[3.3.1]nonane-3,7-dione.	The Journal of organic chemistry 20090515