2,4-Nonanedione

CAT: 0024-sc-275365Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275365Size:5 g

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CAS Number

6175-23-1

Chemical Information

2,4-Nonanedione

2,4-Nonanedione is a beta-diketone.

CAS Number	6175-23-1
PubChem CID	80314
IUPAC Name	nonane-2,4-dione
Molecular Formula	C9H16O2
Molecular Weight	156.22
XLogP	1.7
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

CCCCCC(=O)CC(=O)C

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h3-7H2,1-2H3

InChIKey

KFBXUKHERGLHLG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6175-23-1

CID: 80314

Formula: C9H16O2

MW: 156.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.22
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-255879	1,1,1,2,2,3,3,7,7,8,8,9,9,9-Tetradecafluoro-4,6-nonanedione
sc-487190	1,2-Nonanediol
sc-265948	2,2,4,4-Tetramethylpentane
sc-213935	2,2',4,4'-Tetranitrodiphenylmethane
sc-213934	2,2',4,4'-Tetranitrobenzophenone
sc-474953	2,2',4,4'-Tetramethylbenzophenone
sc-474043	2,2,4,4-Tetramethyloctane
sc-225586	2,2',4,4'-Tetrahydroxybenzophenone
sc-506837	2- (2,2,3,4,4,4-Hexafluorobutoxy) ethanol
sc-474888	Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)

Catalog	Name
AR-N08921-01	4,6-Nonanedione
AR-N01694-01	3-Methyl-2,4-Nonanedione
TRC-D823808-500MG	1,9-Dibromo-2,8-nonanedione
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone