
Organooxygen compounds
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Dihydromyrcenol, 99.1%, MP Biomedicals™
CAS: 53219-21-9,18479-58-8 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00004474 InChI Key: XSNQECSCDATQEL-UHFFFAOYSA-N Synonym: dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 PubChem CID: 29096 ChEBI: CHEBI:87528 IUPAC Name: 2,6-dimethyloct-7-en-2-ol SMILES: CC(CCCC(C)(C)O)C=C
PubChem CID | 29096 |
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CAS | 53219-21-9,18479-58-8 |
Molecular Weight (g/mol) | 156.269 |
ChEBI | CHEBI:87528 |
MDL Number | MFCD00004474 |
SMILES | CC(CCCC(C)(C)O)C=C |
Synonym | dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 |
IUPAC Name | 2,6-dimethyloct-7-en-2-ol |
InChI Key | XSNQECSCDATQEL-UHFFFAOYSA-N |
Molecular Formula | C10H20O |
Methylglyoxal, MP Biomedicals™
CAS: 78-98-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.06 MDL Number: MFCD00006960 InChI Key: AIJULSRZWUXGPQ-UHFFFAOYSA-N Synonym: methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal PubChem CID: 880 ChEBI: CHEBI:17158 IUPAC Name: 2-oxopropanal SMILES: CC(=O)C=O
PubChem CID | 880 |
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CAS | 78-98-8 |
Molecular Weight (g/mol) | 72.06 |
ChEBI | CHEBI:17158 |
MDL Number | MFCD00006960 |
SMILES | CC(=O)C=O |
Synonym | methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal |
IUPAC Name | 2-oxopropanal |
InChI Key | AIJULSRZWUXGPQ-UHFFFAOYSA-N |
Molecular Formula | C3H4O2 |
2-Mercaptoethanol, >98%, MP Biomedicals™
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethanol SMILES: OCCS
PubChem CID | 1567 |
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CAS | 60-24-2 |
Molecular Weight (g/mol) | 78.13 |
ChEBI | CHEBI:41218 |
MDL Number | MFCD00004890 |
SMILES | OCCS |
Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
IUPAC Name | 2-sulfanylethanol |
InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
Molecular Formula | C2H6OS |
Glutaraldehyde, 25% aqueous solution, MP Biomedicals™
CAS: 111-30-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00007025 InChI Key: SXRSQZLOMIGNAQ-UHFFFAOYSA-N Synonym: glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde PubChem CID: 3485 ChEBI: CHEBI:64276 IUPAC Name: pentanedial SMILES: O=CCCCC=O
PubChem CID | 3485 |
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CAS | 111-30-8 |
Molecular Weight (g/mol) | 100.12 |
ChEBI | CHEBI:64276 |
MDL Number | MFCD00007025 |
SMILES | O=CCCCC=O |
Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
IUPAC Name | pentanedial |
InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
Molecular Formula | C5H8O2 |
Cetyl alcohol, ∽99%, MP Biomedicals™
CAS: 36653-82-4 Molecular Formula: C16H34O Molecular Weight (g/mol): 242.45 MDL Number: MFCD00004760 InChI Key: BXWNKGSJHAJOGX-UHFFFAOYSA-N Synonym: 1-hexadecanol,cetyl alcohol,hexadecanol,cetanol,palmityl alcohol,hexadecyl alcohol,n-cetyl alcohol,cetaffine,cetylol,cetal PubChem CID: 2682 ChEBI: CHEBI:16125 IUPAC Name: hexadecan-1-ol SMILES: CCCCCCCCCCCCCCCCO
PubChem CID | 2682 |
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CAS | 36653-82-4 |
Molecular Weight (g/mol) | 242.45 |
ChEBI | CHEBI:16125 |
MDL Number | MFCD00004760 |
SMILES | CCCCCCCCCCCCCCCCO |
Synonym | 1-hexadecanol,cetyl alcohol,hexadecanol,cetanol,palmityl alcohol,hexadecyl alcohol,n-cetyl alcohol,cetaffine,cetylol,cetal |
IUPAC Name | hexadecan-1-ol |
InChI Key | BXWNKGSJHAJOGX-UHFFFAOYSA-N |
Molecular Formula | C16H34O |
β-D-(-)-Fructose, Powder, MP Biomedicals™
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
PubChem CID | 5984 |
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CAS | 57-48-7 |
Molecular Weight (g/mol) | 180.156 |
ChEBI | CHEBI:48095 |
MDL Number | MFCD00148910 |
SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
Molecular Formula | C6H12O6 |
L-Ascorbyl palmitate, MP Biomedicals™
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
PubChem CID | 54680660 |
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CAS | 137-66-6 |
Molecular Weight (g/mol) | 414.54 |
MDL Number | MFCD00005377 |
SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
Synonym | ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf |
IUPAC Name | 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate |
InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
Molecular Formula | C22H38O7 |
L-(-)-Sorbose 99+% MP Biomedicals
CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
PubChem CID | 6904 |
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CAS | 87-79-6 |
Molecular Weight (g/mol) | 180.156 |
ChEBI | CHEBI:13172 |
SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
Synonym | l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose |
IUPAC Name | (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one |
InChI Key | BJHIKXHVCXFQLS-OTWZMJIISA-N |
Molecular Formula | C6H12O6 |
L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™
CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
PubChem CID | 6904 |
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CAS | 87-79-6 |
Molecular Weight (g/mol) | 180.156 |
ChEBI | CHEBI:13172 |
SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
Synonym | l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose |
IUPAC Name | (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one |
InChI Key | BJHIKXHVCXFQLS-OTWZMJIISA-N |
Molecular Formula | C6H12O6 |
3-[5-(Trifluoromethyl)-1H-benzo[d]imidazol-2-yl]propan-1-ol, 97%, Thermo Scientific™
CAS: 175135-15-6 Molecular Formula: C11H11F3N2O Molecular Weight (g/mol): 244.217 MDL Number: MFCD00067735 InChI Key: FDRMNTVCDKSRNL-UHFFFAOYSA-N Synonym: 3-5-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol,2-3-hydroxy-1-propyl-5-trifluoromethyl benzimidazole,3-5-trifluoromethyl-1h-1,3-benzodiazol-2-yl propan-1-ol,2-3-hydroxy-n-propyl-5-trifluoromethyl-benzimidazole,3-6-trifluoromethyl-1h-benzimidazol-2-yl propan-1-ol,2-3-hydroxypropyl-5-trifluoromethyl benzimidazole,2-3-hydroxy-n-propyl-5-trifluoromethyl benzimidazole,2-3-hydroxypropyl-5-trifluoromethyl-1h-benzimidazole,3-6-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol PubChem CID: 2775098 IUPAC Name: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO
PubChem CID | 2775098 |
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CAS | 175135-15-6 |
Molecular Weight (g/mol) | 244.217 |
MDL Number | MFCD00067735 |
SMILES | C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO |
Synonym | 3-5-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol,2-3-hydroxy-1-propyl-5-trifluoromethyl benzimidazole,3-5-trifluoromethyl-1h-1,3-benzodiazol-2-yl propan-1-ol,2-3-hydroxy-n-propyl-5-trifluoromethyl-benzimidazole,3-6-trifluoromethyl-1h-benzimidazol-2-yl propan-1-ol,2-3-hydroxypropyl-5-trifluoromethyl benzimidazole,2-3-hydroxy-n-propyl-5-trifluoromethyl benzimidazole,2-3-hydroxypropyl-5-trifluoromethyl-1h-benzimidazole,3-6-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol |
IUPAC Name | 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol |
InChI Key | FDRMNTVCDKSRNL-UHFFFAOYSA-N |
Molecular Formula | C11H11F3N2O |
1-(3-Chloro-2-hydroxyphenyl)ethan-1-one, 97%, Thermo Scientific™
CAS: 3226-34-4 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00100492 InChI Key: GBWVDQBTXFIIJF-UHFFFAOYSA-N Synonym: 1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone PubChem CID: 593414 IUPAC Name: 1-(3-chloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C(Cl)=CC=C1
PubChem CID | 593414 |
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CAS | 3226-34-4 |
Molecular Weight (g/mol) | 170.59 |
MDL Number | MFCD00100492 |
SMILES | CC(=O)C1=C(O)C(Cl)=CC=C1 |
Synonym | 1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone |
IUPAC Name | 1-(3-chloro-2-hydroxyphenyl)ethanone |
InChI Key | GBWVDQBTXFIIJF-UHFFFAOYSA-N |
Molecular Formula | C8H7ClO2 |
4,4-Dimethylcyclohexan-1-ol, 95%, Thermo Scientific™
CAS: 932-01-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00101954 InChI Key: VUQOIZPFYIVUKD-UHFFFAOYSA-N PubChem CID: 136735 IUPAC Name: 4,4-dimethylcyclohexan-1-ol SMILES: CC1(C)CCC(O)CC1
PubChem CID | 136735 |
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CAS | 932-01-4 |
Molecular Weight (g/mol) | 128.22 |
MDL Number | MFCD00101954 |
SMILES | CC1(C)CCC(O)CC1 |
IUPAC Name | 4,4-dimethylcyclohexan-1-ol |
InChI Key | VUQOIZPFYIVUKD-UHFFFAOYSA-N |
Molecular Formula | C8H16O |
n-Amyl Alcohol, 99.5%, MP Biomedicals
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
PubChem CID | 6276 |
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CAS | 71-41-0 |
Molecular Weight (g/mol) | 88.15 |
ChEBI | CHEBI:44884 |
MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
SMILES | CCCCCO |
Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
IUPAC Name | pentan-1-ol |
InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
Molecular Formula | C5H12O |
Glyceryl Monooleate, MP Biomedicals
CAS: 25496-72-4 Molecular Formula: C21H40O4 Molecular Weight (g/mol): 356.55 MDL Number: MFCD00067258,MFCD00042735,MFCD00069635 InChI Key: RZRNAYUHWVFMIP-KTKRTIGZNA-N Synonym: monoelaidin,1-monoelaidin,dl-alpha-monoolein,2,3-dihydroxypropyl elaidate,glycerol monooleate,9-octadecenoic acid, 2,3-dihydroxypropyl ester, e,2,3-dihydroxypropyl 9e-octadec-9-enoate,1-elaidoylglycerol,arlacel tm 186,glycerol-1-monooleate PubChem CID: 5364833 IUPAC Name: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
PubChem CID | 5364833 |
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CAS | 25496-72-4 |
Molecular Weight (g/mol) | 356.55 |
MDL Number | MFCD00067258,MFCD00042735,MFCD00069635 |
SMILES | CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO |
Synonym | monoelaidin,1-monoelaidin,dl-alpha-monoolein,2,3-dihydroxypropyl elaidate,glycerol monooleate,9-octadecenoic acid, 2,3-dihydroxypropyl ester, e,2,3-dihydroxypropyl 9e-octadec-9-enoate,1-elaidoylglycerol,arlacel tm 186,glycerol-1-monooleate |
IUPAC Name | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate |
InChI Key | RZRNAYUHWVFMIP-KTKRTIGZNA-N |
Molecular Formula | C21H40O4 |
iso-Amyl Alcohol, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO
PubChem CID | 31260 |
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CAS | 123-51-3 |
Molecular Weight (g/mol) | 88.15 |
ChEBI | CHEBI:15837 |
SMILES | CC(C)CCO |
Synonym | 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol |
IUPAC Name | 3-methylbutan-1-ol |
InChI Key | PHTQWCKDNZKARW-UHFFFAOYSA-N |
Molecular Formula | C5H12O |