Organooxygen compounds
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Benzo-15-crown 5-Ether 98.0+%, TCI America™
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CAS: 14098-44-3 Molecular Formula: C14H20O5 Molecular Weight (g/mol): 268.31 MDL Number: MFCD00005945 InChI Key: FNEPSTUXZLEUCK-UHFFFAOYSA-N Synonym: benzo-15-crown-5,2,3,5,6,8,9,11,12-octahydrobenzo b 1,4,7,10,13 pentaoxacyclopentadecine,monobenzo-15-crown-5,benzyl 15-crown-5,benzo15c5,denzo15c5,2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine,benzo-15-crown-5-ether,benzo-15-crown 5-ether,ccris 3608 PubChem CID: 84197 ChEBI: CHEBI:37444 IUPAC Name: 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine SMILES: C1COCCOC2=CC=CC=C2OCCOCCO1
| PubChem CID | 84197 |
|---|---|
| CAS | 14098-44-3 |
| Molecular Weight (g/mol) | 268.31 |
| ChEBI | CHEBI:37444 |
| MDL Number | MFCD00005945 |
| SMILES | C1COCCOC2=CC=CC=C2OCCOCCO1 |
| Synonym | benzo-15-crown-5,2,3,5,6,8,9,11,12-octahydrobenzo b 1,4,7,10,13 pentaoxacyclopentadecine,monobenzo-15-crown-5,benzyl 15-crown-5,benzo15c5,denzo15c5,2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine,benzo-15-crown-5-ether,benzo-15-crown 5-ether,ccris 3608 |
| IUPAC Name | 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine |
| InChI Key | FNEPSTUXZLEUCK-UHFFFAOYSA-N |
| Molecular Formula | C14H20O5 |
Benzyl D-(-)-Mandelate 98.0+%, TCI America™
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CAS: 97415-09-3 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00674031 InChI Key: JFKWZVQEMSKSBU-CQSZACIVSA-N Synonym: D-(-)-Mandelic Acid Benzyl Ester PubChem CID: 853755 IUPAC Name: benzyl (2R)-2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 853755 |
|---|---|
| CAS | 97415-09-3 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00674031 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | D-(-)-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl (2R)-2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-CQSZACIVSA-N |
| Molecular Formula | C15H14O3 |
2-Acetyl-1-ethylpyrrole 98.0+%, TCI America™
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CAS: 39741-41-8 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00191234 InChI Key: HQADRFRTIALOCB-UHFFFAOYSA-N PubChem CID: 61988 IUPAC Name: 1-(1-ethylpyrrol-2-yl)ethanone SMILES: CCN1C=CC=C1C(=O)C
| PubChem CID | 61988 |
|---|---|
| CAS | 39741-41-8 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00191234 |
| SMILES | CCN1C=CC=C1C(=O)C |
| IUPAC Name | 1-(1-ethylpyrrol-2-yl)ethanone |
| InChI Key | HQADRFRTIALOCB-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
5-(4-Nitrophenyl)-2-furaldehyde 98.0+%, TCI America™
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CAS: 7147-77-5 Molecular Formula: C11H7NO4 Molecular Weight (g/mol): 217.18 MDL Number: MFCD00124191 InChI Key: RTSOJVJDKNKNFU-UHFFFAOYSA-N Synonym: 5-4-nitrophenyl-2-furaldehyde,5-4-nitrophenyl furan-2-carbaldehyde,5-4-nitrophenyl-2-furancarboxaldehyde,5-4-nitrophenyl furfural,5-4-nitro-phenyl-furan-2-carbaldehyde,2-furancarboxaldehyde, 5-4-nitrophenyl,5-p-nitrophenyl furfural,5-4-nitrophenyl 2-furaldehyde,cambridge id 5143178,acmc-1bl92 PubChem CID: 81567 IUPAC Name: 5-(4-nitrophenyl)furan-2-carbaldehyde SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=O)[N+](=O)[O-]
| PubChem CID | 81567 |
|---|---|
| CAS | 7147-77-5 |
| Molecular Weight (g/mol) | 217.18 |
| MDL Number | MFCD00124191 |
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)C=O)[N+](=O)[O-] |
| Synonym | 5-4-nitrophenyl-2-furaldehyde,5-4-nitrophenyl furan-2-carbaldehyde,5-4-nitrophenyl-2-furancarboxaldehyde,5-4-nitrophenyl furfural,5-4-nitro-phenyl-furan-2-carbaldehyde,2-furancarboxaldehyde, 5-4-nitrophenyl,5-p-nitrophenyl furfural,5-4-nitrophenyl 2-furaldehyde,cambridge id 5143178,acmc-1bl92 |
| IUPAC Name | 5-(4-nitrophenyl)furan-2-carbaldehyde |
| InChI Key | RTSOJVJDKNKNFU-UHFFFAOYSA-N |
| Molecular Formula | C11H7NO4 |
Sodium 4-Acetylbenzenesulfonate 98.0+%, TCI America™
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CAS: 61827-67-6 Molecular Formula: C8H7NaO4S Molecular Weight (g/mol): 222.19 MDL Number: MFCD00007510 InChI Key: PUWCULQGLSPCMQ-UHFFFAOYSA-M Synonym: 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt PubChem CID: 23668814 IUPAC Name: sodium;4-acetylbenzenesulfonate SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23668814 |
|---|---|
| CAS | 61827-67-6 |
| Molecular Weight (g/mol) | 222.19 |
| MDL Number | MFCD00007510 |
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| Synonym | 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt |
| IUPAC Name | sodium;4-acetylbenzenesulfonate |
| InChI Key | PUWCULQGLSPCMQ-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO4S |
1-(Methylamino)anthraquinone 98.0+%, TCI America™
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CAS: 82-38-2 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.258 MDL Number: MFCD00001197 InChI Key: SVTDYSXXLJYUTM-UHFFFAOYSA-N PubChem CID: 6706 IUPAC Name: 1-(methylamino)anthracene-9,10-dione SMILES: CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 6706 |
|---|---|
| CAS | 82-38-2 |
| Molecular Weight (g/mol) | 237.258 |
| MDL Number | MFCD00001197 |
| SMILES | CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O |
| IUPAC Name | 1-(methylamino)anthracene-9,10-dione |
| InChI Key | SVTDYSXXLJYUTM-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO2 |
4'-Aminobenzo-15-crown 5-Ether 97.0+%, TCI America™
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CAS: 60835-71-4 Molecular Formula: C14H21NO5 Molecular Weight (g/mol): 283.324 MDL Number: MFCD00068686 InChI Key: CQNGAZMLFIMLQN-UHFFFAOYSA-N Synonym: 2,3-(4-Aminobenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene PubChem CID: 2724797 IUPAC Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine SMILES: C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1
| PubChem CID | 2724797 |
|---|---|
| CAS | 60835-71-4 |
| Molecular Weight (g/mol) | 283.324 |
| MDL Number | MFCD00068686 |
| SMILES | C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1 |
| Synonym | 2,3-(4-Aminobenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene |
| IUPAC Name | 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine |
| InChI Key | CQNGAZMLFIMLQN-UHFFFAOYSA-N |
| Molecular Formula | C14H21NO5 |
Ethyl 2-Oxocyclopentanecarboxylate 97.0+%, TCI America™
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CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O
| PubChem CID | 69136 |
|---|---|
| CAS | 611-10-9 |
| Molecular Weight (g/mol) | 156.181 |
| MDL Number | MFCD00001412 |
| SMILES | CCOC(=O)C1CCCC1=O |
| Synonym | ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate |
| IUPAC Name | ethyl 2-oxocyclopentane-1-carboxylate |
| InChI Key | JHZPNBKZPAWCJD-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
3,4-Dihydro-2-methoxy-2H-pyran 97.0+%, TCI America™
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CAS: 4454-05-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00006560 InChI Key: XCYWUZHUTJDTGS-UHFFFAOYNA-N Synonym: 3,4-dihydro-2-methoxy-2h-pyran,2h-pyran, 3,4-dihydro-2-methoxy,2,3-dihydro-2-methoxy 4h pyran,2-methoxy-2,3-dihydro-4h-pyran,acmc-1ahgh,dsstox_cid_7570,dsstox_rid_78508,dsstox_gsid_27570,ksc496o2j PubChem CID: 91538 IUPAC Name: 2-methoxy-3,4-dihydro-2H-pyran SMILES: COC1CCC=CO1
| PubChem CID | 91538 |
|---|---|
| CAS | 4454-05-1 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00006560 |
| SMILES | COC1CCC=CO1 |
| Synonym | 3,4-dihydro-2-methoxy-2h-pyran,2h-pyran, 3,4-dihydro-2-methoxy,2,3-dihydro-2-methoxy 4h pyran,2-methoxy-2,3-dihydro-4h-pyran,acmc-1ahgh,dsstox_cid_7570,dsstox_rid_78508,dsstox_gsid_27570,ksc496o2j |
| IUPAC Name | 2-methoxy-3,4-dihydro-2H-pyran |
| InChI Key | XCYWUZHUTJDTGS-UHFFFAOYNA-N |
| Molecular Formula | C6H10O2 |
Diethyl Isopropylmalonate 98.0+%, TCI America™
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CAS: 759-36-4 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00040491 InChI Key: BYQFBFWERHXONI-UHFFFAOYSA-N Synonym: diethyl isopropylmalonate,diethyl 2-isopropylmalonate,isopropyl diethyl malonate,1,3-diethyl 2-propan-2-yl propanedioate,diethylisopropylmalonate,isopropylmalonic acid diethyl ester,propanedioic acid, 1-methylethyl-, diethyl ester,ethyl isopropylmalonate,1,3-diethyl 2-isopropylpropanedioate,2-isopropyl-malonic acid diethyl ester PubChem CID: 12966 IUPAC Name: 1,3-diethyl 2-(propan-2-yl)propanedioate SMILES: CCOC(=O)C(C(C)C)C(=O)OCC
| PubChem CID | 12966 |
|---|---|
| CAS | 759-36-4 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD00040491 |
| SMILES | CCOC(=O)C(C(C)C)C(=O)OCC |
| Synonym | diethyl isopropylmalonate,diethyl 2-isopropylmalonate,isopropyl diethyl malonate,1,3-diethyl 2-propan-2-yl propanedioate,diethylisopropylmalonate,isopropylmalonic acid diethyl ester,propanedioic acid, 1-methylethyl-, diethyl ester,ethyl isopropylmalonate,1,3-diethyl 2-isopropylpropanedioate,2-isopropyl-malonic acid diethyl ester |
| IUPAC Name | 1,3-diethyl 2-(propan-2-yl)propanedioate |
| InChI Key | BYQFBFWERHXONI-UHFFFAOYSA-N |
| Molecular Formula | C10H18O4 |
2-Methoxy-3-(trifluoromethyl)pyridine 98.0+%, TCI America™
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CAS: 121643-44-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.13 MDL Number: MFCD00153202 InChI Key: SSAZZVQVJJXPMB-UHFFFAOYSA-N Synonym: 2-methoxy-3-trifluoromethyl pyridine,2-methoxy-3-trifluoromethyl-pyridine,pyridine,2-methoxy-3-trifluoromethyl,pyridine, 2-methoxy-3-trifluoromethyl,pubchem2404,acmc-209aes,tpc-py090,3-trifluoromethyl-2-methoxypyridine PubChem CID: 2775309 IUPAC Name: 2-methoxy-3-(trifluoromethyl)pyridine SMILES: COC1=NC=CC=C1C(F)(F)F
| PubChem CID | 2775309 |
|---|---|
| CAS | 121643-44-5 |
| Molecular Weight (g/mol) | 177.13 |
| MDL Number | MFCD00153202 |
| SMILES | COC1=NC=CC=C1C(F)(F)F |
| Synonym | 2-methoxy-3-trifluoromethyl pyridine,2-methoxy-3-trifluoromethyl-pyridine,pyridine,2-methoxy-3-trifluoromethyl,pyridine, 2-methoxy-3-trifluoromethyl,pubchem2404,acmc-209aes,tpc-py090,3-trifluoromethyl-2-methoxypyridine |
| IUPAC Name | 2-methoxy-3-(trifluoromethyl)pyridine |
| InChI Key | SSAZZVQVJJXPMB-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO |
Ethyl 1,1,2,2-Tetrafluoroethyl Ether 98.0+%, TCI America™
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CAS: 512-51-6 Molecular Formula: C4H6F4O Molecular Weight (g/mol): 146.09 MDL Number: MFCD00069162 InChI Key: HBRLMDFVVMYNFH-UHFFFAOYSA-N Synonym: ethyl 1,1,2,2-tetrafluoroethyl ether,374pce-beta-gamma,1,1,2,2-tetrafluoroethyl ethyl ether,ethane, 1-ethoxy-1,1,2,2-tetrafluoro,ether, ethyl 1,1,2,2-tetrafluoroethyl,acmc-1anqb,1,1,2,2-tetrafluoroethyl ether,1,1,2,2-tetrafluoroethoxyethane,1,1,2,2-tetrafluoro ethyl ether,3-oxa-1,1,2,2-tetrafluoropentane PubChem CID: 120272 IUPAC Name: 1-ethoxy-1,1,2,2-tetrafluoroethane SMILES: CCOC(F)(F)C(F)F
| PubChem CID | 120272 |
|---|---|
| CAS | 512-51-6 |
| Molecular Weight (g/mol) | 146.09 |
| MDL Number | MFCD00069162 |
| SMILES | CCOC(F)(F)C(F)F |
| Synonym | ethyl 1,1,2,2-tetrafluoroethyl ether,374pce-beta-gamma,1,1,2,2-tetrafluoroethyl ethyl ether,ethane, 1-ethoxy-1,1,2,2-tetrafluoro,ether, ethyl 1,1,2,2-tetrafluoroethyl,acmc-1anqb,1,1,2,2-tetrafluoroethyl ether,1,1,2,2-tetrafluoroethoxyethane,1,1,2,2-tetrafluoro ethyl ether,3-oxa-1,1,2,2-tetrafluoropentane |
| IUPAC Name | 1-ethoxy-1,1,2,2-tetrafluoroethane |
| InChI Key | HBRLMDFVVMYNFH-UHFFFAOYSA-N |
| Molecular Formula | C4H6F4O |
3-Pyridinemethanol 98.0+%, TCI America™
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CAS: 100-55-0 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006407 InChI Key: MVQVNTPHUGQQHK-UHFFFAOYSA-N Synonym: 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol PubChem CID: 7510 IUPAC Name: (pyridin-3-yl)methanol SMILES: OCC1=CC=CN=C1
| PubChem CID | 7510 |
|---|---|
| CAS | 100-55-0 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006407 |
| SMILES | OCC1=CC=CN=C1 |
| Synonym | 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol |
| IUPAC Name | (pyridin-3-yl)methanol |
| InChI Key | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
4'-Acetamido-3'-bromoacetophenone 98.0+%, TCI America™
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CAS: 101209-08-9 Molecular Formula: C10H10BrNO2 Molecular Weight (g/mol): 256.10 MDL Number: MFCD00051781 InChI Key: PMYJAVHDFDKJBS-UHFFFAOYSA-N Synonym: 4-acetamido-3-bromoacetophenone,4'-acetamido-3'-bromoacetophenone,n-4-acetyl-2-bromophenyl acetamide,4-acetyl-2-bromoacetanilide,4'-acetamido-3-bromoacetophenone,3'-bromo-4'-acetaminoacetophenone,n-2-bromo-4-acetylphenyl acetamide,n-4-acetyl-2-bromo-phenyl acetamide,n-4-acetyl-2-bromo-phenyl-acetamide PubChem CID: 3682474 IUPAC Name: N-(4-acetyl-2-bromophenyl)acetamide SMILES: CC(=O)NC1=C(Br)C=C(C=C1)C(C)=O
| PubChem CID | 3682474 |
|---|---|
| CAS | 101209-08-9 |
| Molecular Weight (g/mol) | 256.10 |
| MDL Number | MFCD00051781 |
| SMILES | CC(=O)NC1=C(Br)C=C(C=C1)C(C)=O |
| Synonym | 4-acetamido-3-bromoacetophenone,4'-acetamido-3'-bromoacetophenone,n-4-acetyl-2-bromophenyl acetamide,4-acetyl-2-bromoacetanilide,4'-acetamido-3-bromoacetophenone,3'-bromo-4'-acetaminoacetophenone,n-2-bromo-4-acetylphenyl acetamide,n-4-acetyl-2-bromo-phenyl acetamide,n-4-acetyl-2-bromo-phenyl-acetamide |
| IUPAC Name | N-(4-acetyl-2-bromophenyl)acetamide |
| InChI Key | PMYJAVHDFDKJBS-UHFFFAOYSA-N |
| Molecular Formula | C10H10BrNO2 |
4H-Indeno[1,2-b]thiophen-4-one 98.0+%, TCI America™
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CAS: 5706-08-1 Molecular Formula: C11H6OS Molecular Weight (g/mol): 186.23 InChI Key: WSOJIQBCVMSHLB-UHFFFAOYSA-N PubChem CID: 12872762 IUPAC Name: indeno[1,2-b]thiophen-4-one SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CS3
| PubChem CID | 12872762 |
|---|---|
| CAS | 5706-08-1 |
| Molecular Weight (g/mol) | 186.23 |
| SMILES | C1=CC=C2C(=C1)C3=C(C2=O)C=CS3 |
| IUPAC Name | indeno[1,2-b]thiophen-4-one |
| InChI Key | WSOJIQBCVMSHLB-UHFFFAOYSA-N |
| Molecular Formula | C11H6OS |