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Nonane-4,6-dione

CAT: 0572-TRC-N251010-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N251010-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14090-88-1
Synonyms
Nonane-4,6-dione
Hazard Statement
No Data Available
Smiles
CCCC(=O)CC(=O)CCC
Molecular Formula
C9 H16 O2
Molecular Weight
156.222
InChI
InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3
Additionnal Information
IUPAC name: nonane-4,6-dione
Shipping Conditions
Room Temperature

Chemical Information

4,6-Nonanedione

Nonane-4,6-dione is a nonanone carrying oxo substituents at positions 4 and 6 respectively. It is a nonanone and a beta-diketone.

CAS Number14090-88-1
PubChem CID26454
IUPAC Namenonane-4,6-dione
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP1.5
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity122
SMILES
CCCC(=O)CC(=O)CCC
InChI
InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3
InChIKey
ZDYWPVCQPUPOJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Nonanedione
CAS: 14090-88-1
CID: 26454
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area34.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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