Organic acids and derivatives
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Sodium Gluconate, FCC, 98-102%, Spectrum™ Chemical
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CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.14 InChI Key: UPMFZISCCZSDND-UHFFFAOYNA-M IUPAC Name: sodium 2,3,4,5,6-pentahydroxyhexanoate SMILES: [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O
| CAS | 527-07-1 |
|---|---|
| Molecular Weight (g/mol) | 218.14 |
| SMILES | [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O |
| IUPAC Name | sodium 2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | UPMFZISCCZSDND-UHFFFAOYNA-M |
| Molecular Formula | C6H11NaO7 |
DL-3-Hydroxybutyric acid, sodium salt, 99%
CAS: 150-83-4 Molecular Formula: C4H7NaO3 Molecular Weight (g/mol): 126.09 MDL Number: MFCD00016716 InChI Key: NBPUSGBJDWCHKC-UHFFFAOYSA-M Synonym: sodium 3-hydroxybutyrate,sodium 3-hydroxybutanoate,dl-3-hydroxybutyric acid sodium salt,sodium beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, monosodium salt,butanoic acid,3-hydroxy-, sodium salt 1:1,dl-3-hydroxybutyric acid, sodium salt,3-hydroxybutyric acid sodium salt,sodium 3-oxidanylbutanoate,dl-beta-hydroxybutyric acid sodium salt PubChem CID: 23676771 IUPAC Name: sodium;3-hydroxybutanoate SMILES: CC(CC(=O)[O-])O.[Na+]
| PubChem CID | 23676771 |
|---|---|
| CAS | 150-83-4 |
| Molecular Weight (g/mol) | 126.09 |
| MDL Number | MFCD00016716 |
| SMILES | CC(CC(=O)[O-])O.[Na+] |
| Synonym | sodium 3-hydroxybutyrate,sodium 3-hydroxybutanoate,dl-3-hydroxybutyric acid sodium salt,sodium beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, monosodium salt,butanoic acid,3-hydroxy-, sodium salt 1:1,dl-3-hydroxybutyric acid, sodium salt,3-hydroxybutyric acid sodium salt,sodium 3-oxidanylbutanoate,dl-beta-hydroxybutyric acid sodium salt |
| IUPAC Name | sodium;3-hydroxybutanoate |
| InChI Key | NBPUSGBJDWCHKC-UHFFFAOYSA-M |
| Molecular Formula | C4H7NaO3 |
(+)-Diethyl L-tartrate, 98%
CAS: 87-91-2 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00009143 InChI Key: YSAVZVORKRDODB-UHFFFAOYNA-N Synonym: diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r PubChem CID: 6993580 SMILES: CCOC(=O)C(O)C(O)C(=O)OCC
| PubChem CID | 6993580 |
|---|---|
| CAS | 87-91-2 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00009143 |
| SMILES | CCOC(=O)C(O)C(O)C(=O)OCC |
| Synonym | diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r |
| InChI Key | YSAVZVORKRDODB-UHFFFAOYNA-N |
| Molecular Formula | C8H14O6 |
Sodium Gluconate, FCC, 98-102%, Spectrum™ Chemical
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CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.14 InChI Key: UPMFZISCCZSDND-UHFFFAOYNA-M IUPAC Name: sodium 2,3,4,5,6-pentahydroxyhexanoate SMILES: [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O
| CAS | 527-07-1 |
|---|---|
| Molecular Weight (g/mol) | 218.14 |
| SMILES | [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O |
| IUPAC Name | sodium 2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | UPMFZISCCZSDND-UHFFFAOYNA-M |
| Molecular Formula | C6H11NaO7 |
Ethyl 3-hydroxybutyrate, 99%
CAS: 5405-41-4 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004545 InChI Key: OMSUIQOIVADKIM-UHFFFAOYNA-N PubChem CID: 62572 ChEBI: CHEBI:87685 IUPAC Name: ethyl 3-hydroxybutanoate SMILES: CCOC(=O)CC(C)O
| PubChem CID | 62572 |
|---|---|
| CAS | 5405-41-4 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:87685 |
| MDL Number | MFCD00004545 |
| SMILES | CCOC(=O)CC(C)O |
| IUPAC Name | ethyl 3-hydroxybutanoate |
| InChI Key | OMSUIQOIVADKIM-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
3-Hydroxybutyric acid, tech.
CAS: 300-85-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00004546 InChI Key: WHBMMWSBFZVSSR-UHFFFAOYSA-N Synonym: 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy PubChem CID: 441 ChEBI: CHEBI:20067 IUPAC Name: 3-hydroxybutanoic acid SMILES: CC(CC(=O)O)O
| PubChem CID | 441 |
|---|---|
| CAS | 300-85-6 |
| Molecular Weight (g/mol) | 104.105 |
| ChEBI | CHEBI:20067 |
| MDL Number | MFCD00004546 |
| SMILES | CC(CC(=O)O)O |
| Synonym | 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy |
| IUPAC Name | 3-hydroxybutanoic acid |
| InChI Key | WHBMMWSBFZVSSR-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
Methyl 2,2-dimethyl-3-hydroxypropionate, 98+%
CAS: 14002-80-3 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00009707 InChI Key: KJRFTNVYOAGTHK-UHFFFAOYSA-N Synonym: hydroxypivalic acid methyl ester,methyl 3-hydroxypivalate,methyl hydroxypivalate,methyl 2,2-dimethyl-3-hydroxypropionate,hydroxypivalicacidmethylester,propanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester,2,2-dimethyl-3-hydroxypropionic acid methyl ester,3-hydroxy-2,2-dimethyl-propionic acid methyl ester,methyl 2,2-dimethyl-3-hydroxypropanoate,methyl hydroxylpivalate PubChem CID: 84152 IUPAC Name: methyl 3-hydroxy-2,2-dimethylpropanoate SMILES: COC(=O)C(C)(C)CO
| PubChem CID | 84152 |
|---|---|
| CAS | 14002-80-3 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00009707 |
| SMILES | COC(=O)C(C)(C)CO |
| Synonym | hydroxypivalic acid methyl ester,methyl 3-hydroxypivalate,methyl hydroxypivalate,methyl 2,2-dimethyl-3-hydroxypropionate,hydroxypivalicacidmethylester,propanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester,2,2-dimethyl-3-hydroxypropionic acid methyl ester,3-hydroxy-2,2-dimethyl-propionic acid methyl ester,methyl 2,2-dimethyl-3-hydroxypropanoate,methyl hydroxylpivalate |
| IUPAC Name | methyl 3-hydroxy-2,2-dimethylpropanoate |
| InChI Key | KJRFTNVYOAGTHK-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Potassium Sodium Tartrate ACS AR Crystal, Macron Fine Chemicals™
CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.218 InChI Key: VZOPRCCTKLAGPN-UHFFFAOYSA-L Synonym: potassium sodium tartrate tetrahydrate,sodium potassium tartrate tetrahydrate,monopotassium monosodium tartrate tetrahydrate,sodiumpotassiumtartrate,tetr,potassium sodium 2,3-dihydroxybutanedioate tetrahydrate,potassium sodium tetrahydrate tartrate,l +-tartaric acid potassium sodium salt,acmc-209nif,acmc-20aju8,ksc493o7j PubChem CID: 2724148 IUPAC Name: potassium;sodium;2,3-dihydroxybutanedioate;tetrahydrate SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]
| PubChem CID | 2724148 |
|---|---|
| CAS | 6381-59-5 |
| Molecular Weight (g/mol) | 282.218 |
| SMILES | C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+] |
| Synonym | potassium sodium tartrate tetrahydrate,sodium potassium tartrate tetrahydrate,monopotassium monosodium tartrate tetrahydrate,sodiumpotassiumtartrate,tetr,potassium sodium 2,3-dihydroxybutanedioate tetrahydrate,potassium sodium tetrahydrate tartrate,l +-tartaric acid potassium sodium salt,acmc-209nif,acmc-20aju8,ksc493o7j |
| IUPAC Name | potassium;sodium;2,3-dihydroxybutanedioate;tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-UHFFFAOYSA-L |
| Molecular Formula | C4H12KNaO10 |
N-Boc-2-methyl-D-serine, 97%, Thermo Scientific Chemicals
CAS: 84311-18-2 Molecular Formula: C9H17NO5 Molecular Weight (g/mol): 219.237 MDL Number: MFCD02682596 InChI Key: FWRXDSRYWWYTPD-SECBINFHSA-N Synonym: r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,n-boc-alpha-methyl-d-serine,boc-alpha-methyl-d-ser,boc-me-d-ser-oh,2r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,boc-d-alpha-methylserine,boc-a-methyl-d-ser,n-boc-a-methyl-d-serine,n-boc-2-methyl-d-serine,n-tert-butoxycarbonyl-2-methyl-d-serine PubChem CID: 24749404 IUPAC Name: (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(C)(CO)C(=O)O
| PubChem CID | 24749404 |
|---|---|
| CAS | 84311-18-2 |
| Molecular Weight (g/mol) | 219.237 |
| MDL Number | MFCD02682596 |
| SMILES | CC(C)(C)OC(=O)NC(C)(CO)C(=O)O |
| Synonym | r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,n-boc-alpha-methyl-d-serine,boc-alpha-methyl-d-ser,boc-me-d-ser-oh,2r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,boc-d-alpha-methylserine,boc-a-methyl-d-ser,n-boc-a-methyl-d-serine,n-boc-2-methyl-d-serine,n-tert-butoxycarbonyl-2-methyl-d-serine |
| IUPAC Name | (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI Key | FWRXDSRYWWYTPD-SECBINFHSA-N |
| Molecular Formula | C9H17NO5 |
Dimethyl D-tartrate, 99%
CAS: 13171-64-7 Molecular Formula: C6H10O6 Molecular Weight (g/mol): 178.14 MDL Number: MFCD00008445 InChI Key: PVRATXCXJDHJJN-IMJSIDKUSA-N Synonym: dimethyl d-tartrate,--dimethyl d-tartrate,dimethyl d---tartrate,dimethyl 2s,3s-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-, dimethyl ester, 2s,3s,d---tartaric acid dimethyl ester,dl-dimethyl tartrate,dl-dimethyl tartarate,d--dimethyl d-tartrate,meso-tartaric acid, dimethyl ester PubChem CID: 21142 IUPAC Name: dimethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: COC(=O)C(C(C(=O)OC)O)O
| PubChem CID | 21142 |
|---|---|
| CAS | 13171-64-7 |
| Molecular Weight (g/mol) | 178.14 |
| MDL Number | MFCD00008445 |
| SMILES | COC(=O)C(C(C(=O)OC)O)O |
| Synonym | dimethyl d-tartrate,--dimethyl d-tartrate,dimethyl d---tartrate,dimethyl 2s,3s-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-, dimethyl ester, 2s,3s,d---tartaric acid dimethyl ester,dl-dimethyl tartrate,dl-dimethyl tartarate,d--dimethyl d-tartrate,meso-tartaric acid, dimethyl ester |
| IUPAC Name | dimethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | PVRATXCXJDHJJN-IMJSIDKUSA-N |
| Molecular Formula | C6H10O6 |
(+)-Diisopropyl L-tartrate, 97%
CAS: 2217-15-4 Molecular Formula: C10H18O6 Molecular Weight (g/mol): 234.248 MDL Number: MFCD00064450 InChI Key: XEBCWEDRGPSHQH-HTQZYQBOSA-N Synonym: +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate PubChem CID: 6453580 IUPAC Name: dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O
| PubChem CID | 6453580 |
|---|---|
| CAS | 2217-15-4 |
| Molecular Weight (g/mol) | 234.248 |
| MDL Number | MFCD00064450 |
| SMILES | CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O |
| Synonym | +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate |
| IUPAC Name | dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | XEBCWEDRGPSHQH-HTQZYQBOSA-N |
| Molecular Formula | C10H18O6 |
DL-Tropic acid, 97%
CAS: 552-63-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004255 InChI Key: JACRWUWPXAESPB-UHFFFAOYNA-N Synonym: tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid PubChem CID: 10726 ChEBI: CHEBI:30765 IUPAC Name: 3-hydroxy-2-phenylpropanoic acid SMILES: OCC(C(O)=O)C1=CC=CC=C1
| PubChem CID | 10726 |
|---|---|
| CAS | 552-63-6 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:30765 |
| MDL Number | MFCD00004255 |
| SMILES | OCC(C(O)=O)C1=CC=CC=C1 |
| Synonym | tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid |
| IUPAC Name | 3-hydroxy-2-phenylpropanoic acid |
| InChI Key | JACRWUWPXAESPB-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
Potassium Sodium Tartrate, Tetrahydrate, Purified, 95%, Spectrum™ Chemical
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CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.22 InChI Key: VZOPRCCTKLAGPN-ZFJVMAEJSA-L IUPAC Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate SMILES: O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6381-59-5 |
|---|---|
| Molecular Weight (g/mol) | 282.22 |
| SMILES | O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-ZFJVMAEJSA-L |
| Molecular Formula | C4H12KNaO10 |
Carbacyclin, 99%, Thermo Scientific Chemicals
CAS: 69552-46-1 Molecular Formula: C21H34O4 Molecular Weight (g/mol): 350.50 MDL Number: MFCD00210824 InChI Key: XZFRIPGNUQRGPI-WBQKLGIQSA-N Synonym: carboprostacyclin,carbacyclin,carbaprostacyclin,carbacycline,carba pgx,6a-carba-pgi2,6,9-methano pgi2,6,9-methano-pgi2,6,9-methanoprostaglandin i2,5e-6a-carba-prostaglandin i2 PubChem CID: 133126726 IUPAC Name: 5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-octahydropentalen-2-ylidene]pentanoic acid SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
| PubChem CID | 133126726 |
|---|---|
| CAS | 69552-46-1 |
| Molecular Weight (g/mol) | 350.50 |
| MDL Number | MFCD00210824 |
| SMILES | CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O |
| Synonym | carboprostacyclin,carbacyclin,carbaprostacyclin,carbacycline,carba pgx,6a-carba-pgi2,6,9-methano pgi2,6,9-methano-pgi2,6,9-methanoprostaglandin i2,5e-6a-carba-prostaglandin i2 |
| IUPAC Name | 5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-octahydropentalen-2-ylidene]pentanoic acid |
| InChI Key | XZFRIPGNUQRGPI-WBQKLGIQSA-N |
| Molecular Formula | C21H34O4 |
(1R,2R)-(+)-1,2-Diaminocyclohexane L-tartrate, 98%
CAS: 39961-95-0 Molecular Formula: C10H20N2O6 Molecular Weight (g/mol): 264.278 MDL Number: MFCD00191979 InChI Key: GDOTUTAQOJUZOF-ZXZVGZDWSA-N Synonym: 1r,2r-+-1,2-diaminocyclohexane l-tartrate,1r,2r-cyclohexane-1,2-diamine 2r,3r-2,3-dihydroxysuccinate,1r,2r-+-1,2-cyclohexanediamine l-tartrate,1r,2r---cyclohexane-1,2-diamine l-tartrate salt,1r-trans-1,2-diaminocyclohexane l-tartrate,1r,2r-+-cyclohexane-1,2-diamine l-tartrate,1r,2r-1,2-diaminocyclohexane l-tartrate,1r,2r-cyclohexane-1,2-diamine; l +-tartaric acid,pubchem17364,ksc221k4n PubChem CID: 11448443 IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine;(2R,3R)-2,3-dihydroxybutanedioic acid SMILES: C1CCC(C(C1)N)N.C(C(C(=O)O)O)(C(=O)O)O
| PubChem CID | 11448443 |
|---|---|
| CAS | 39961-95-0 |
| Molecular Weight (g/mol) | 264.278 |
| MDL Number | MFCD00191979 |
| SMILES | C1CCC(C(C1)N)N.C(C(C(=O)O)O)(C(=O)O)O |
| Synonym | 1r,2r-+-1,2-diaminocyclohexane l-tartrate,1r,2r-cyclohexane-1,2-diamine 2r,3r-2,3-dihydroxysuccinate,1r,2r-+-1,2-cyclohexanediamine l-tartrate,1r,2r---cyclohexane-1,2-diamine l-tartrate salt,1r-trans-1,2-diaminocyclohexane l-tartrate,1r,2r-+-cyclohexane-1,2-diamine l-tartrate,1r,2r-1,2-diaminocyclohexane l-tartrate,1r,2r-cyclohexane-1,2-diamine; l +-tartaric acid,pubchem17364,ksc221k4n |
| IUPAC Name | (1R,2R)-cyclohexane-1,2-diamine;(2R,3R)-2,3-dihydroxybutanedioic acid |
| InChI Key | GDOTUTAQOJUZOF-ZXZVGZDWSA-N |
| Molecular Formula | C10H20N2O6 |