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Product No: CK2729

Dimethyl 1,4-Cyclohexanedione-2,5-dicarboxylate, >95.0%

Name: Dimethyl 1,4-Cyclohexanedione-2,5-dicarboxylate
Brand: Chempure

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CAS Number

6289-46-9

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About this item

IUPAC name	dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
canonical smiles	COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
inchi	InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3
inchi key	MHKKFFHWMKEBDW-UHFFFAOYSA-N
molecular formula	C10H12O6
synonyms	6289-46-9 Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate Dimethyl succinylsuccinate Dimethyl Succinylosuccinate

Computed Properties

Molecular Weight:	228.20 g/mol
XLogP3:	-0.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Exact Mass:	228.06338810 g/mol
Monoisotopic Mass:	228.06338810 g/mol
Topological Polar Surface Area:	86.7 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	311
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

Diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

1-(2,5-Dimethoxy-4-methylphenyl)ethan-1-one

Methyl 4-methyl-3-oxocyclohexanecarboxylate

Methyl 2-oxocyclohexanecarboxylate

methyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate

2,5-Bis(trifluoroacetyl)cyclohexane-1,4-dione

dimethyl 6-oxo-1H-pyridine-2,5-dicarboxylate

1,4-Cyclohexadiene-1,4-dicarboxylic acid, 3,6-dioxo-, diethyl ester

Methyl 4-methyl-2-oxocyclohexane-1-carboxylate

methyl (1R)-2-oxocyclohexane-1-carboxylate

2,4-Di(ethoxycarbonyl)cyclohexanone

Ethyl 4-(cyclopropanecarbonyl)-3,5-dioxocyclohexane-1-carboxylate

Diethyl 2,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylate

Methyl 2,5-dioxocyclohexane-1-carboxylate

hazard signal
hazard classes and categories	Aquatic Chronic 3 (100%)
precautionary statement codes	P273, and P501
hazard statements	H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
canonical smiles	COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
inchi	InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3
inchi key	MHKKFFHWMKEBDW-UHFFFAOYSA-N
molecular formula	C10H12O6
synonyms	6289-46-9 Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate Dimethyl succinylsuccinate Dimethyl Succinylosuccinate

Computed Properties

Molecular Weight:	228.20 g/mol
XLogP3:	-0.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Exact Mass:	228.06338810 g/mol
Monoisotopic Mass:	228.06338810 g/mol
Topological Polar Surface Area:	86.7 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	311
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

Diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

1-(2,5-Dimethoxy-4-methylphenyl)ethan-1-one

Methyl 4-methyl-3-oxocyclohexanecarboxylate

Methyl 2-oxocyclohexanecarboxylate

methyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate

2,5-Bis(trifluoroacetyl)cyclohexane-1,4-dione

dimethyl 6-oxo-1H-pyridine-2,5-dicarboxylate

1,4-Cyclohexadiene-1,4-dicarboxylic acid, 3,6-dioxo-, diethyl ester

Methyl 4-methyl-2-oxocyclohexane-1-carboxylate

methyl (1R)-2-oxocyclohexane-1-carboxylate

2,4-Di(ethoxycarbonyl)cyclohexanone

Ethyl 4-(cyclopropanecarbonyl)-3,5-dioxocyclohexane-1-carboxylate

Diethyl 2,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylate

Methyl 2,5-dioxocyclohexane-1-carboxylate

hazard signal
hazard classes and categories	Aquatic Chronic 3 (100%)
precautionary statement codes	P273, and P501
hazard statements	H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Product No: CK2729

Dimethyl 1,4-Cyclohexanedione-2,5-dicarboxylate, >95.0%

Product No: CK2729

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CK2729

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?