Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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Dexamethasone 21-phosphate disodium salt, 98%

CAS: 2392-39-4 Molecular Formula: C22H28FNa2O8P Molecular Weight (g/mol): 516.41 MDL Number: MFCD00079105 InChI Key: PLCQGRYPOISRTQ-FCJDYXGNSA-L Synonym: dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron PubChem CID: 16961 ChEBI: CHEBI:4462 IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]

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PubChem CID	16961
CAS	2392-39-4
Molecular Weight (g/mol)	516.41
ChEBI	CHEBI:4462
MDL Number	MFCD00079105
SMILES	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
Synonym	dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron
IUPAC Name	disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
InChI Key	PLCQGRYPOISRTQ-FCJDYXGNSA-L
Molecular Formula	C22H28FNa2O8P

4-Hydroxy-4-methyl-2-pentanone, 98+%

CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O

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PubChem CID	31256
CAS	123-42-2
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:55381
MDL Number	MFCD00004471
SMILES	CC(=O)CC(C)(C)O
Synonym	diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one
IUPAC Name	4-hydroxy-4-methylpentan-2-one
InChI Key	SWXVUIWOUIDPGS-UHFFFAOYSA-N
Molecular Formula	C6H12O2

3'-Methoxyacetophenone, 97%

CAS: 586-37-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008736 InChI Key: BAYUSCHCCGXLAY-UHFFFAOYSA-N Synonym: 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy PubChem CID: 11460 IUPAC Name: 1-(3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OC

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PubChem CID	11460
CAS	586-37-8
Molecular Weight (g/mol)	150.177
MDL Number	MFCD00008736
SMILES	CC(=O)C1=CC(=CC=C1)OC
Synonym	3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy
IUPAC Name	1-(3-methoxyphenyl)ethanone
InChI Key	BAYUSCHCCGXLAY-UHFFFAOYSA-N
Molecular Formula	C9H10O2

2',4'-Dichloroacetophenone, 97%

CAS: 2234-16-4 Molecular Formula: C₈H₆Cl₂O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000581 InChI Key: XMCRWEBERCXJCH-UHFFFAOYSA-N Synonym: 2',4'-dichloroacetophenone,1-2,4-dichlorophenyl ethanone,2,4-dichloroacetophenone,ethanone, 1-2,4-dichlorophenyl,1-2,4-dichlorophenyl ethan-1-one,p-chloro-2-chloroacetophenone,acetophenone, 2',4'-dichloro,unii-t7f2608h5h,2',4'-dichloro phenyl ethanone,1-2,4-dichloro-phenyl-ethanone PubChem CID: 16693 IUPAC Name: 1-(2,4-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Cl)Cl

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PubChem CID	16693
CAS	2234-16-4
Molecular Weight (g/mol)	189.04
MDL Number	MFCD00000581
SMILES	CC(=O)C1=C(C=C(C=C1)Cl)Cl
Synonym	2',4'-dichloroacetophenone,1-2,4-dichlorophenyl ethanone,2,4-dichloroacetophenone,ethanone, 1-2,4-dichlorophenyl,1-2,4-dichlorophenyl ethan-1-one,p-chloro-2-chloroacetophenone,acetophenone, 2',4'-dichloro,unii-t7f2608h5h,2',4'-dichloro phenyl ethanone,1-2,4-dichloro-phenyl-ethanone
IUPAC Name	1-(2,4-dichlorophenyl)ethanone
InChI Key	XMCRWEBERCXJCH-UHFFFAOYSA-N
Molecular Formula	C₈H₆Cl₂O

2-Ketoglutaric acid, 98%

CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O

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PubChem CID	51
CAS	328-50-7
Molecular Weight (g/mol)	146.098
ChEBI	CHEBI:30915
MDL Number	MFCD00004165
SMILES	C(CC(=O)O)C(=O)C(=O)O
Synonym	2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid
IUPAC Name	2-oxopentanedioic acid
InChI Key	KPGXRSRHYNQIFN-UHFFFAOYSA-N
Molecular Formula	C5H6O5

Phenylglyoxal monohydrate, 97%

CAS: 1075-06-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O

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PubChem CID	99611
CAS	1075-06-5
Molecular Weight (g/mol)	152.149
MDL Number	MFCD00149499
SMILES	C1=CC=C(C=C1)C(=O)C(O)O
Synonym	dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone
IUPAC Name	2,2-dihydroxy-1-phenylethanone
InChI Key	NBIBDIKAOBCFJN-UHFFFAOYSA-N
Molecular Formula	C8H8O3

Valerophenone, 98%

CAS: 1009-14-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00009480 InChI Key: XKGLSKVNOSHTAD-UHFFFAOYSA-N Synonym: valerophenone,butyl phenyl ketone,pentanophenone,1-phenyl-1-pentanone,1-pentanone, 1-phenyl,unii-f27q043nt1,n-butyl phenyl ketone,1-benzoylbutane,valerophenone, 8ci PubChem CID: 66093 ChEBI: CHEBI:36812 IUPAC Name: 1-phenylpentan-1-one SMILES: CCCCC(=O)C1=CC=CC=C1

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PubChem CID	66093
CAS	1009-14-9
Molecular Weight (g/mol)	162.23
ChEBI	CHEBI:36812
MDL Number	MFCD00009480
SMILES	CCCCC(=O)C1=CC=CC=C1
Synonym	valerophenone,butyl phenyl ketone,pentanophenone,1-phenyl-1-pentanone,1-pentanone, 1-phenyl,unii-f27q043nt1,n-butyl phenyl ketone,1-benzoylbutane,valerophenone, 8ci
IUPAC Name	1-phenylpentan-1-one
InChI Key	XKGLSKVNOSHTAD-UHFFFAOYSA-N
Molecular Formula	C11H14O

4-Methyl-2-oxovaleric acid, 94%

CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 SMILES: [Na+].CC(C)CC(=O)C([O-])=O

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PubChem CID	70
CAS	816-66-0
Molecular Weight (g/mol)	152.13
ChEBI	CHEBI:48430
MDL Number	MFCD00066204
SMILES	[Na+].CC(C)CC(=O)C([O-])=O
Synonym	4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate
InChI Key	IXFAZKRLPPMQEO-UHFFFAOYSA-M
Molecular Formula	C6H9NaO3

n-Butyrophenone, 99%

CAS: 495-40-9 Molecular Formula: C₁₀H₁₂O Molecular Weight (g/mol): 148.2 InChI Key: FFSAXUULYPJSKH-UHFFFAOYSA-N Synonym: butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone PubChem CID: 10315 IUPAC Name: 1-phenylbutan-1-one SMILES: CCCC(=O)C1=CC=CC=C1

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PubChem CID	10315
CAS	495-40-9
Molecular Weight (g/mol)	148.2
SMILES	CCCC(=O)C1=CC=CC=C1
Synonym	butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone
IUPAC Name	1-phenylbutan-1-one
InChI Key	FFSAXUULYPJSKH-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O

2',3',4'-Trihydroxyacetophenone, 98%

CAS: 528-21-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002193 InChI Key: XIROXSOOOAZHLL-UHFFFAOYSA-N Synonym: gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy PubChem CID: 10706 IUPAC Name: 1-(2,3,4-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)O)O)O

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PubChem CID	10706
CAS	528-21-2
Molecular Weight (g/mol)	168.148
MDL Number	MFCD00002193
SMILES	CC(=O)C1=C(C(=C(C=C1)O)O)O
Synonym	gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy
IUPAC Name	1-(2,3,4-trihydroxyphenyl)ethanone
InChI Key	XIROXSOOOAZHLL-UHFFFAOYSA-N
Molecular Formula	C8H8O4

Chloroacetone, 96%, stabilized

CAS: 78-95-5 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00000936 InChI Key: BULLHNJGPPOUOX-UHFFFAOYSA-N Synonym: chloroacetone,chloropropanone,acetonyl chloride,monochloroacetone,tonite,2-propanone, 1-chloro,chloro-2-propanone,1-chloroacetone,chloromethyl methyl ketone,1-chloro-2-propanone PubChem CID: 6571 ChEBI: CHEBI:47220 IUPAC Name: 1-chloropropan-2-one SMILES: CC(=O)CCl

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PubChem CID	6571
CAS	78-95-5
Molecular Weight (g/mol)	92.52
ChEBI	CHEBI:47220
MDL Number	MFCD00000936
SMILES	CC(=O)CCl
Synonym	chloroacetone,chloropropanone,acetonyl chloride,monochloroacetone,tonite,2-propanone, 1-chloro,chloro-2-propanone,1-chloroacetone,chloromethyl methyl ketone,1-chloro-2-propanone
IUPAC Name	1-chloropropan-2-one
InChI Key	BULLHNJGPPOUOX-UHFFFAOYSA-N
Molecular Formula	C3H5ClO

3',4'-Difluoroacetophenone 97.0+%, TCI America™

CAS: 369-33-5 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00009891 InChI Key: VWJSSJFLXRMYNV-UHFFFAOYSA-N Synonym: 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo PubChem CID: 123052 IUPAC Name: 1-(3,4-difluorophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)F

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Specifications

PubChem CID	123052
CAS	369-33-5
Molecular Weight (g/mol)	156.132
MDL Number	MFCD00009891
SMILES	CC(=O)C1=CC(=C(C=C1)F)F
Synonym	3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo
IUPAC Name	1-(3,4-difluorophenyl)ethanone
InChI Key	VWJSSJFLXRMYNV-UHFFFAOYSA-N
Molecular Formula	C8H6F2O

3-Acetylthiophene, 98%

CAS: 1468-83-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00005468 InChI Key: RNIDWJDZNNVFDY-UHFFFAOYSA-N Synonym: 3-acetylthiophene,methyl 3-thienyl ketone,1-thiophen-3-yl ethan-1-one,1-thiophen-3-yl ethanone,1-3-thienyl ethanone,ethanone, 1-3-thienyl,ketone, methyl 3-thienyl,3-acetyl thiophene,1-thien-3-ylethanone,methyl-3-thienyl ketone PubChem CID: 15116 IUPAC Name: 1-thiophen-3-ylethanone SMILES: CC(=O)C1=CSC=C1

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Specifications

PubChem CID	15116
CAS	1468-83-3
Molecular Weight (g/mol)	126.17
MDL Number	MFCD00005468
SMILES	CC(=O)C1=CSC=C1
Synonym	3-acetylthiophene,methyl 3-thienyl ketone,1-thiophen-3-yl ethan-1-one,1-thiophen-3-yl ethanone,1-3-thienyl ethanone,ethanone, 1-3-thienyl,ketone, methyl 3-thienyl,3-acetyl thiophene,1-thien-3-ylethanone,methyl-3-thienyl ketone
IUPAC Name	1-thiophen-3-ylethanone
InChI Key	RNIDWJDZNNVFDY-UHFFFAOYSA-N
Molecular Formula	C6H6OS

Benzoylacetonitrile, 98+%

CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1

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Specifications

PubChem CID	64799
CAS	614-16-4
Molecular Weight (g/mol)	145.16
ChEBI	CHEBI:51855
MDL Number	MFCD00001942
SMILES	O=C(CC#N)C1=CC=CC=C1
Synonym	benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile
IUPAC Name	3-oxo-3-phenylpropanenitrile
InChI Key	ZJRCIQAMTAINCB-UHFFFAOYSA-N
Molecular Formula	C9H7NO

3'-(Trifluoromethyl)acetophenone, 98+%

CAS: 349-76-8 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00000391 InChI Key: ABXGMGUHGLQMAW-UHFFFAOYSA-N Synonym: 3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone PubChem CID: 67682 IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC=C1)C(F)(F)F

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Specifications

PubChem CID	67682
CAS	349-76-8
Molecular Weight (g/mol)	188.149
MDL Number	MFCD00000391
SMILES	CC(=O)C1=CC(=CC=C1)C(F)(F)F
Synonym	3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone
IUPAC Name	1-[3-(trifluoromethyl)phenyl]ethanone
InChI Key	ABXGMGUHGLQMAW-UHFFFAOYSA-N
Molecular Formula	C9H7F3O

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