Alpha beta-unsaturated carbonyl compounds

Organic compounds consisting of an alkene (carbon - carbon double bond) adjacent to a ketone functional group; also known as an enone.

16 – 30 of 348 results

Sodium 2,4-pentanedionate hydrate, 94%

CAS: 86891-03-4 Molecular Formula: C5H7NaO2 Molecular Weight (g/mol): 122.10 MDL Number: MFCD00078034 InChI Key: AIWZOHBYSFSQGV-UHFFFAOYSA-M Synonym: sodium 2,4-pentanedionate,sodium 2e-4-oxopent-2-en-2-olate hydrate PubChem CID: 90476915 IUPAC Name: sodium;(E)-4-oxopent-2-en-2-olate;hydrate SMILES: [Na+].CC([O-])=CC(C)=O

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PubChem CID	90476915
CAS	86891-03-4
Molecular Weight (g/mol)	122.10
MDL Number	MFCD00078034
SMILES	[Na+].CC([O-])=CC(C)=O
Synonym	sodium 2,4-pentanedionate,sodium 2e-4-oxopent-2-en-2-olate hydrate
IUPAC Name	sodium;(E)-4-oxopent-2-en-2-olate;hydrate
InChI Key	AIWZOHBYSFSQGV-UHFFFAOYSA-M
Molecular Formula	C5H7NaO2

Ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate, 97%

CAS: 571-55-1 Molecular Formula: C9H11F3O4 Molecular Weight (g/mol): 240.178 MDL Number: MFCD02677683 InChI Key: XNGGOXOLHQANRB-AATRIKPKSA-N Synonym: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester PubChem CID: 6185754 IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC

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Specifications

PubChem CID	6185754
CAS	571-55-1
Molecular Weight (g/mol)	240.178
MDL Number	MFCD02677683
SMILES	CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
Synonym	ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester
IUPAC Name	ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
InChI Key	XNGGOXOLHQANRB-AATRIKPKSA-N
Molecular Formula	C9H11F3O4

4-Hexen-3-one, 98%, trans-isomer >95%

CAS: 2497-21-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.15 MDL Number: MFCD00010631 InChI Key: FEWIGMWODIRUJM-HYXAFXHYSA-N Synonym: 4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one PubChem CID: 5365811 IUPAC Name: (4Z)-hex-4-en-3-one SMILES: CCC(=O)\C=C/C

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Specifications

PubChem CID	5365811
CAS	2497-21-4
Molecular Weight (g/mol)	98.15
MDL Number	MFCD00010631
SMILES	CCC(=O)\C=C/C
Synonym	4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one
IUPAC Name	(4Z)-hex-4-en-3-one
InChI Key	FEWIGMWODIRUJM-HYXAFXHYSA-N
Molecular Formula	C6H10O

3-Dimethylaminoacrolein, 90%

CAS: 927-63-9 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00006999 InChI Key: RRLMPLDPCKRASL-ONEGZZNKSA-N Synonym: 3-dimethylaminoacrolein,3-dimethylaminoacrylaldehyde,3-dimethylamino acrylaldehyde,3-dimethylamino acrolein,2-propenal, 3-dimethylamino,e-3-dimethylamino acrylaldehyde,e-3-dimethylamino prop-2-enal,3-dimethylamino propenal,2e-3-dimethylamino prop-2-enal,.beta.-dimethylamino acrolein PubChem CID: 638320 SMILES: CN(C)\C=C\C=O

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PubChem CID	638320
CAS	927-63-9
Molecular Weight (g/mol)	99.13
MDL Number	MFCD00006999
SMILES	CN(C)\C=C\C=O
Synonym	3-dimethylaminoacrolein,3-dimethylaminoacrylaldehyde,3-dimethylamino acrylaldehyde,3-dimethylamino acrolein,2-propenal, 3-dimethylamino,e-3-dimethylamino acrylaldehyde,e-3-dimethylamino prop-2-enal,3-dimethylamino propenal,2e-3-dimethylamino prop-2-enal,.beta.-dimethylamino acrolein
InChI Key	RRLMPLDPCKRASL-ONEGZZNKSA-N
Molecular Formula	C5H9NO

3-Methyl-2-butenal, 97%

CAS: 107-86-8 Molecular Formula: C₅H₈O Molecular Weight (g/mol): 84.12 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C

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PubChem CID	61020
CAS	107-86-8
Molecular Weight (g/mol)	84.12
ChEBI	CHEBI:15825
SMILES	CC(=CC=O)C
Synonym	3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde
IUPAC Name	3-methylbut-2-enal
InChI Key	SEPQTYODOKLVSB-UHFFFAOYSA-N
Molecular Formula	C₅H₈O

3-Methyl-3-penten-2-one, 98%

CAS: 565-62-8 Molecular Formula: C₆H₁₀O Molecular Weight (g/mol): 98.14 InChI Key: ZAMCMCQRTZKGDX-SNAWJCMRSA-N Synonym: 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene PubChem CID: 5364579 IUPAC Name: (E)-3-methylpent-3-en-2-one SMILES: CC=C(C)C(=O)C

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PubChem CID	5364579
CAS	565-62-8
Molecular Weight (g/mol)	98.14
SMILES	CC=C(C)C(=O)C
Synonym	3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene
IUPAC Name	(E)-3-methylpent-3-en-2-one
InChI Key	ZAMCMCQRTZKGDX-SNAWJCMRSA-N
Molecular Formula	C₆H₁₀O

3-Benzylidene-2,4-pentanedione, 97%

CAS: 4335-90-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00014990 InChI Key: NYRGMNMVISROGJ-UHFFFAOYSA-N Synonym: 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone PubChem CID: 95782 IUPAC Name: 3-benzylidenepentane-2,4-dione SMILES: CC(=O)C(=CC1=CC=CC=C1)C(C)=O

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Specifications

PubChem CID	95782
CAS	4335-90-4
Molecular Weight (g/mol)	188.23
MDL Number	MFCD00014990
SMILES	CC(=O)C(=CC1=CC=CC=C1)C(C)=O
Synonym	3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone
IUPAC Name	3-benzylidenepentane-2,4-dione
InChI Key	NYRGMNMVISROGJ-UHFFFAOYSA-N
Molecular Formula	C12H12O2

Chromium(III) acetylacetonate, 97%

CAS: 21679-31-2 Molecular Formula: C15H21CrO6 Molecular Weight (g/mol): 349.32 MDL Number: MFCD00000015 MFCD00000015 InChI Key: JWORPXLMBPOPPU-LNTINUHCSA-K Synonym: chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 PubChem CID: 91759531 IUPAC Name: chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate SMILES: [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

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Specifications

PubChem CID	91759531
CAS	21679-31-2
Molecular Weight (g/mol)	349.32
MDL Number	MFCD00000015 MFCD00000015
SMILES	[Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym	chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863
IUPAC Name	chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate
InChI Key	JWORPXLMBPOPPU-LNTINUHCSA-K
Molecular Formula	C15H21CrO6

Iron(III) 1,1,1-trifluoro 2,4-pentanedionate

CAS: 14526-22-8 Molecular Formula: C15H12F9FeO6 Molecular Weight (g/mol): 515.09 MDL Number: MFCD00017760 InChI Key: PDLKINIVWBCDRU-UHFFFAOYSA-N Synonym: ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate PubChem CID: 71299627 SMILES: [Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F

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PubChem CID	71299627
CAS	14526-22-8
Molecular Weight (g/mol)	515.09
MDL Number	MFCD00017760
SMILES	[Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F
Synonym	ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate
InChI Key	PDLKINIVWBCDRU-UHFFFAOYSA-N
Molecular Formula	C15H12F9FeO6

Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)zirconium(IV), 99.9%, Thermo Scientific™

CAS: 18865-74-2 Molecular Formula: C44H80O8Zr Molecular Weight (g/mol): 828.34 MDL Number: MFCD00145380,MFCD00145380 InChI Key: ANBXKEDJQLYCLX-UHFFFAOYSA-N Synonym: tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium,zirconium 2,2,6,6-tetramethyl-3,5-heptanedionate,tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium iv,zr tmhd 4,zirconium tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionate,zirconium tetrakis dipivaloylmethanate,zirconium iv 2,2,6,6-tetramethyl-3,5-heptanedionate,4z-2,2,6,6-tetramethyl-5-tris 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy zirconio oxy hept-4-en-3-one PubChem CID: 50919870 IUPAC Name: 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;zirconium SMILES: [Zr].CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C

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Specifications

PubChem CID	50919870
CAS	18865-74-2
Molecular Weight (g/mol)	828.34
MDL Number	MFCD00145380,MFCD00145380
SMILES	[Zr].CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C
Synonym	tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium,zirconium 2,2,6,6-tetramethyl-3,5-heptanedionate,tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium iv,zr tmhd 4,zirconium tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionate,zirconium tetrakis dipivaloylmethanate,zirconium iv 2,2,6,6-tetramethyl-3,5-heptanedionate,4z-2,2,6,6-tetramethyl-5-tris 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy zirconio oxy hept-4-en-3-one
IUPAC Name	5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;zirconium
InChI Key	ANBXKEDJQLYCLX-UHFFFAOYSA-N
Molecular Formula	C44H80O8Zr

Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium(III)

CAS: 15522-71-1 Molecular Formula: C33H60EuO6 Molecular Weight (g/mol): 704.801 MDL Number: MFCD00000019 InChI Key: RHXUZKJNHAMZEP-QFVJJVGWSA-N Synonym: eu dpm 3,tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium,tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium iii,resolve-al tm,europium iii-dpm,eu tmhd 3,europium 2,2,6,6-tetramethyl-3,5-heptanedionate,europium-tris dipivaloylmethane,tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium 3 PubChem CID: 10897800 IUPAC Name: europium;(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Eu]

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Specifications

PubChem CID	10897800
CAS	15522-71-1
Molecular Weight (g/mol)	704.801
MDL Number	MFCD00000019
SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Eu]
Synonym	eu dpm 3,tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium,tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium iii,resolve-al tm,europium iii-dpm,eu tmhd 3,europium 2,2,6,6-tetramethyl-3,5-heptanedionate,europium-tris dipivaloylmethane,tris 2,2,6,6-tetramethyl-3,5-heptanedionato europium 3
IUPAC Name	europium;(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
InChI Key	RHXUZKJNHAMZEP-QFVJJVGWSA-N
Molecular Formula	C33H60EuO6

beta-Ionone, 96%

CAS: 79-77-6 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 MDL Number: MFCD00001549 InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonym: beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone PubChem CID: 638014 ChEBI: CHEBI:32325 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one SMILES: CC1=C(C(CCC1)(C)C)C=CC(=O)C

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Specifications

PubChem CID	638014
CAS	79-77-6
Molecular Weight (g/mol)	192.302
ChEBI	CHEBI:32325
MDL Number	MFCD00001549
SMILES	CC1=C(C(CCC1)(C)C)C=CC(=O)C
Synonym	beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone
IUPAC Name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChI Key	PSQYTAPXSHCGMF-BQYQJAHWSA-N
Molecular Formula	C13H20O

Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II), 98%

CAS: 14481-08-4 Molecular Formula: C22H38NiO4 Molecular Weight (g/mol): 425.24 MDL Number: MFCD00192348 InChI Key: FPQQRRXEOLXSCJ-UHFFFAOYSA-N Synonym: bis 2,2,6,6-tetramethyl-3,5-heptanedionate nickel ii,bis 2,2,6,6-tetramethyl-3,5-heptanedionato nickel ii , min-ni ni tmhd 2 PubChem CID: 131675868 IUPAC Name: (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nickel SMILES: [Ni++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C

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Specifications

PubChem CID	131675868
CAS	14481-08-4
Molecular Weight (g/mol)	425.24
MDL Number	MFCD00192348
SMILES	[Ni++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
Synonym	bis 2,2,6,6-tetramethyl-3,5-heptanedionate nickel ii,bis 2,2,6,6-tetramethyl-3,5-heptanedionato nickel ii , min-ni ni tmhd 2
IUPAC Name	(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nickel
InChI Key	FPQQRRXEOLXSCJ-UHFFFAOYSA-N
Molecular Formula	C22H38NiO4

Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)cobalt(II), 99.9% (metals basis)

CAS: 13986-53-3 Molecular Formula: C22H38CoO4 Molecular Weight (g/mol): 425.48 MDL Number: MFCD00233616 InChI Key: KLJJOSZRALJWDS-UHFFFAOYSA-N Synonym: bis 2,2,6,6-tetramethyl-3,5-heptanedionato cobalt ii,cobalt 2+ bis 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate PubChem CID: 57369563 IUPAC Name: cobalt(2+);2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate SMILES: [Co++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C

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Specifications

PubChem CID	57369563
CAS	13986-53-3
Molecular Weight (g/mol)	425.48
MDL Number	MFCD00233616
SMILES	[Co++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
Synonym	bis 2,2,6,6-tetramethyl-3,5-heptanedionato cobalt ii,cobalt 2+ bis 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
IUPAC Name	cobalt(2+);2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
InChI Key	KLJJOSZRALJWDS-UHFFFAOYSA-N
Molecular Formula	C22H38CoO4

Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(II), 99.99% (metals basis)

CAS: 118448-18-3 Molecular Formula: C22H38CaO4 Molecular Weight (g/mol): 406.62 MDL Number: MFCD00064757 InChI Key: DOOFPPIHJGRIGW-OLHSYEKISA-L Synonym: ca tmhd 2,calcium bis dipivaloylmethanate,bis 2,2,6,6-tetramethyl-3,5-heptanedionato calcium PubChem CID: 14598209 IUPAC Name: calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2]

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Specifications

PubChem CID	14598209
CAS	118448-18-3
Molecular Weight (g/mol)	406.62
MDL Number	MFCD00064757
SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2]
Synonym	ca tmhd 2,calcium bis dipivaloylmethanate,bis 2,2,6,6-tetramethyl-3,5-heptanedionato calcium
IUPAC Name	calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
InChI Key	DOOFPPIHJGRIGW-OLHSYEKISA-L
Molecular Formula	C22H38CaO4

Alpha beta-unsaturated carbonyl compounds

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