Organooxygen compounds
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(2-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
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CAS: 40018-25-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051624 InChI Key: SBSWHTFHLWSSQS-UHFFFAOYSA-N Synonym: 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle PubChem CID: 2734201 IUPAC Name: 3-(2-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl
| PubChem CID | 2734201 |
|---|---|
| CAS | 40018-25-5 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051624 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC#N)Cl |
| Synonym | 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle |
| IUPAC Name | 3-(2-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | SBSWHTFHLWSSQS-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
cis-2-Butene-1,4-diol 94.0+%, TCI America™
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CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv PubChem CID: 643790 IUPAC Name: (2Z)-but-2-ene-1,4-diol SMILES: OC\C=C/CO
| PubChem CID | 643790 |
|---|---|
| CAS | 6117-80-2 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00002924,MFCD00063207 |
| SMILES | OC\C=C/CO |
| Synonym | cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv |
| IUPAC Name | (2Z)-but-2-ene-1,4-diol |
| InChI Key | ORTVZLZNOYNASJ-UPHRSURJSA-N |
| Molecular Formula | C4H8O2 |
1-Benzylisatin 97.0+%, TCI America™
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CAS: 1217-89-6 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.26 MDL Number: MFCD00187663 InChI Key: SIISFRLGYDVIRG-UHFFFAOYSA-N Synonym: 1-Benzylindole-2,3-dione, 1-Benzyl-2,3-indolinedione PubChem CID: 264734 IUPAC Name: 1-benzyl-2,3-dihydro-1H-indole-2,3-dione SMILES: O=C1N(CC2=CC=CC=C2)C2=CC=CC=C2C1=O
| PubChem CID | 264734 |
|---|---|
| CAS | 1217-89-6 |
| Molecular Weight (g/mol) | 237.26 |
| MDL Number | MFCD00187663 |
| SMILES | O=C1N(CC2=CC=CC=C2)C2=CC=CC=C2C1=O |
| Synonym | 1-Benzylindole-2,3-dione, 1-Benzyl-2,3-indolinedione |
| IUPAC Name | 1-benzyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | SIISFRLGYDVIRG-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO2 |
Trimethyl Orthoformate 98.0+%, TCI America™
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CAS: 149-73-5 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00008483 InChI Key: PYOKUURKVVELLB-UHFFFAOYSA-N Synonym: trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester PubChem CID: 9005 IUPAC Name: trimethoxymethane SMILES: COC(OC)OC
| PubChem CID | 9005 |
|---|---|
| CAS | 149-73-5 |
| Molecular Weight (g/mol) | 106.121 |
| MDL Number | MFCD00008483 |
| SMILES | COC(OC)OC |
| Synonym | trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester |
| IUPAC Name | trimethoxymethane |
| InChI Key | PYOKUURKVVELLB-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
2-Bromo-6-methoxypyridine 97.0+%, TCI America™
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CAS: 40473-07-2 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD00088345 InChI Key: KMODISUYWZPVGV-UHFFFAOYSA-N Synonym: 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin PubChem CID: 256810 IUPAC Name: 2-bromo-6-methoxypyridine SMILES: COC1=CC=CC(Br)=N1
| PubChem CID | 256810 |
|---|---|
| CAS | 40473-07-2 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD00088345 |
| SMILES | COC1=CC=CC(Br)=N1 |
| Synonym | 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin |
| IUPAC Name | 2-bromo-6-methoxypyridine |
| InChI Key | KMODISUYWZPVGV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
5'-Bromo-2'-hydroxypropiophenone 98.0+%, TCI America™
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CAS: 17764-93-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00218577 InChI Key: NDXLYRKTHTZXRC-UHFFFAOYSA-N PubChem CID: 736409 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(Br)=CC=C1O
| PubChem CID | 736409 |
|---|---|
| CAS | 17764-93-1 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00218577 |
| SMILES | CCC(=O)C1=CC(Br)=CC=C1O |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)propan-1-one |
| InChI Key | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
1-Bromo-2-methoxymethylnaphthalene 98.0+%, TCI America™
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CAS: 64689-70-9 Molecular Formula: C12H11BrO Molecular Weight (g/mol): 251.123 MDL Number: MFCD00059518 InChI Key: ORYVAZPUJFACFR-UHFFFAOYSA-N PubChem CID: 12385765 IUPAC Name: 1-bromo-2-(methoxymethyl)naphthalene SMILES: COCC1=C(C2=CC=CC=C2C=C1)Br
| PubChem CID | 12385765 |
|---|---|
| CAS | 64689-70-9 |
| Molecular Weight (g/mol) | 251.123 |
| MDL Number | MFCD00059518 |
| SMILES | COCC1=C(C2=CC=CC=C2C=C1)Br |
| IUPAC Name | 1-bromo-2-(methoxymethyl)naphthalene |
| InChI Key | ORYVAZPUJFACFR-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO |
3-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 606488-94-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 InChI Key: JBZDHFKPEDWWJC-UHFFFAOYSA-N PubChem CID: 5255726 IUPAC Name: 3-hydroxycyclohexane-1-carboxylic acid SMILES: C1CC(CC(C1)O)C(=O)O
| PubChem CID | 5255726 |
|---|---|
| CAS | 606488-94-2 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | C1CC(CC(C1)O)C(=O)O |
| IUPAC Name | 3-hydroxycyclohexane-1-carboxylic acid |
| InChI Key | JBZDHFKPEDWWJC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Dioctadecyl Ether 95.0+%, TCI America™
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CAS: 6297-03-6 Molecular Formula: C36H74O Molecular Weight (g/mol): 522.99 MDL Number: MFCD00048498 InChI Key: HBXWUCXDUUJDRB-UHFFFAOYSA-N Synonym: Distearyl Ether, Octadecyl Ether PubChem CID: 80526 IUPAC Name: 1-octadecoxyoctadecane SMILES: CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC
| PubChem CID | 80526 |
|---|---|
| CAS | 6297-03-6 |
| Molecular Weight (g/mol) | 522.99 |
| MDL Number | MFCD00048498 |
| SMILES | CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC |
| Synonym | Distearyl Ether, Octadecyl Ether |
| IUPAC Name | 1-octadecoxyoctadecane |
| InChI Key | HBXWUCXDUUJDRB-UHFFFAOYSA-N |
| Molecular Formula | C36H74O |
D-Pinitol 98.0+%, TCI America™
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CAS: 10284-63-6 Molecular Formula: C7H14O6 Molecular Weight (g/mol): 194.18 MDL Number: MFCD00216659 InChI Key: DSCFFEYYQKSRSV-FEPQRWDDSA-N Synonym: d-pinitol,pinitol,3-o-methyl-d-chiro-inositol,d-+-pinitol,inzitol,pinit,+-pinitol,methylinositol,sennitol,d-ononitol PubChem CID: 164619 IUPAC Name: (1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol SMILES: COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O
| PubChem CID | 164619 |
|---|---|
| CAS | 10284-63-6 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00216659 |
| SMILES | COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O |
| Synonym | d-pinitol,pinitol,3-o-methyl-d-chiro-inositol,d-+-pinitol,inzitol,pinit,+-pinitol,methylinositol,sennitol,d-ononitol |
| IUPAC Name | (1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol |
| InChI Key | DSCFFEYYQKSRSV-FEPQRWDDSA-N |
| Molecular Formula | C7H14O6 |
2-Methoxy-1,3-dioxolane 98.0+%, TCI America™
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CAS: 19693-75-5 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00003208 InChI Key: VRAYTNFBRROPJU-UHFFFAOYSA-N PubChem CID: 29744 IUPAC Name: 2-methoxy-1,3-dioxolane SMILES: COC1OCCO1
| PubChem CID | 29744 |
|---|---|
| CAS | 19693-75-5 |
| Molecular Weight (g/mol) | 104.105 |
| MDL Number | MFCD00003208 |
| SMILES | COC1OCCO1 |
| IUPAC Name | 2-methoxy-1,3-dioxolane |
| InChI Key | VRAYTNFBRROPJU-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
Allyl Acetoacetate 95.0+%, TCI America™
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CAS: 1118-84-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00009811 InChI Key: AXLMPTNTPOWPLT-UHFFFAOYSA-N Synonym: allyl acetoacetate,allyl 3-oxobutanoate,allyl acetylacetate,acetoacetic acid, allyl ester,butanoic acid, 3-oxo-, 2-propenyl ester,prop-2-en-1-yl 3-oxobutanoate,acetoacetic acid allyl ester,2-propenyl 3-oxobutanoate,ac-allyl,unii-8hx066j62p PubChem CID: 70701 IUPAC Name: prop-2-enyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC=C
| PubChem CID | 70701 |
|---|---|
| CAS | 1118-84-9 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00009811 |
| SMILES | CC(=O)CC(=O)OCC=C |
| Synonym | allyl acetoacetate,allyl 3-oxobutanoate,allyl acetylacetate,acetoacetic acid, allyl ester,butanoic acid, 3-oxo-, 2-propenyl ester,prop-2-en-1-yl 3-oxobutanoate,acetoacetic acid allyl ester,2-propenyl 3-oxobutanoate,ac-allyl,unii-8hx066j62p |
| IUPAC Name | prop-2-enyl 3-oxobutanoate |
| InChI Key | AXLMPTNTPOWPLT-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
Trimethyl Orthobutyrate 96.0+%, TCI America™
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CAS: 43083-12-1 Molecular Formula: C7H16O3 Molecular Weight (g/mol): 148.202 MDL Number: MFCD00008480 InChI Key: JAFMOTJMRSZOJE-UHFFFAOYSA-N Synonym: trimethyl orthobutyrate,trimethylorthobutyrate,butane, 1,1,1-trimethoxy,ortho-n-butyric acid trimethyl ester,orthobutyric acid trimethyl ester,orthobutyricacidtrimethylester,1,1,1-trimethoxybutan,trimethy orthobutyrate,pubchem21070,acmc-1aqt6 PubChem CID: 123512 IUPAC Name: 1,1,1-trimethoxybutane SMILES: CCCC(OC)(OC)OC
| PubChem CID | 123512 |
|---|---|
| CAS | 43083-12-1 |
| Molecular Weight (g/mol) | 148.202 |
| MDL Number | MFCD00008480 |
| SMILES | CCCC(OC)(OC)OC |
| Synonym | trimethyl orthobutyrate,trimethylorthobutyrate,butane, 1,1,1-trimethoxy,ortho-n-butyric acid trimethyl ester,orthobutyric acid trimethyl ester,orthobutyricacidtrimethylester,1,1,1-trimethoxybutan,trimethy orthobutyrate,pubchem21070,acmc-1aqt6 |
| IUPAC Name | 1,1,1-trimethoxybutane |
| InChI Key | JAFMOTJMRSZOJE-UHFFFAOYSA-N |
| Molecular Formula | C7H16O3 |
2,3',4'-Trichloroacetophenone 98.0+%, TCI America™
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CAS: 42981-08-8 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.48 MDL Number: MFCD03970382 InChI Key: BYTZWANJVUAPNO-UHFFFAOYSA-N Synonym: 2,3',4'-trichloroacetophenone,2-chloro-1-3,4-dichlorophenyl ethanone,3,4-dichlorophenacyl chloride,2-chloro-1-3,4-dichloro-phenyl-ethanone,2-chloro-1-3,4-dichlorophenyl ethan-1-one,2,3 ,4-trichloroacetophenone,pubchem20021,acmc-1bn8g,alpha,3',4'-trichloroacetophenone,2-chloranyl-1-3,4-dichlorophenyl ethanone PubChem CID: 316188 IUPAC Name: 2-chloro-1-(3,4-dichlorophenyl)ethan-1-one SMILES: ClCC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 316188 |
|---|---|
| CAS | 42981-08-8 |
| Molecular Weight (g/mol) | 223.48 |
| MDL Number | MFCD03970382 |
| SMILES | ClCC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 2,3',4'-trichloroacetophenone,2-chloro-1-3,4-dichlorophenyl ethanone,3,4-dichlorophenacyl chloride,2-chloro-1-3,4-dichloro-phenyl-ethanone,2-chloro-1-3,4-dichlorophenyl ethan-1-one,2,3 ,4-trichloroacetophenone,pubchem20021,acmc-1bn8g,alpha,3',4'-trichloroacetophenone,2-chloranyl-1-3,4-dichlorophenyl ethanone |
| IUPAC Name | 2-chloro-1-(3,4-dichlorophenyl)ethan-1-one |
| InChI Key | BYTZWANJVUAPNO-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
3-Acetyl-2,5-dimethylfuran 98.0+%, TCI America™
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CAS: 10599-70-9 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00010281 InChI Key: KBSVBCHYXYXDAG-UHFFFAOYSA-N Synonym: 3-acetyl-2,5-dimethylfuran,1-2,5-dimethylfuran-3-yl ethanone,ethanone, 1-2,5-dimethyl-3-furanyl,3-acetyl-2,5-dimethyl furan,2,5-dimethyl-3-acetylfuran,1-2,5-dimethyl-3-furyl ethan-1-one,2,5-dimethyl-3-furyl methyl ketone,1-2,5-dimethyl-3-furanyl ethanone,1-2,5-dimethyl-3-furyl ethanone,unii-798v2t7zbv PubChem CID: 61527 IUPAC Name: 1-(2,5-dimethylfuran-3-yl)ethanone SMILES: CC1=CC(=C(O1)C)C(=O)C
| PubChem CID | 61527 |
|---|---|
| CAS | 10599-70-9 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00010281 |
| SMILES | CC1=CC(=C(O1)C)C(=O)C |
| Synonym | 3-acetyl-2,5-dimethylfuran,1-2,5-dimethylfuran-3-yl ethanone,ethanone, 1-2,5-dimethyl-3-furanyl,3-acetyl-2,5-dimethyl furan,2,5-dimethyl-3-acetylfuran,1-2,5-dimethyl-3-furyl ethan-1-one,2,5-dimethyl-3-furyl methyl ketone,1-2,5-dimethyl-3-furanyl ethanone,1-2,5-dimethyl-3-furyl ethanone,unii-798v2t7zbv |
| IUPAC Name | 1-(2,5-dimethylfuran-3-yl)ethanone |
| InChI Key | KBSVBCHYXYXDAG-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |