Organooxygen compounds
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Magnesium 4-Nitrobenzyl Malonate Hydrate, TCI America™
CAS: 83972-01-4 Molecular Formula: C20H16MgN2O12 Molecular Weight (g/mol): 500.655 MDL Number: MFCD00060141 InChI Key: WAFDWKYNSTVECG-UHFFFAOYSA-L Synonym: Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt PubChem CID: 13338668 IUPAC Name: magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate SMILES: C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]
| PubChem CID | 13338668 |
|---|---|
| CAS | 83972-01-4 |
| Molecular Weight (g/mol) | 500.655 |
| MDL Number | MFCD00060141 |
| SMILES | C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2] |
| Synonym | Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt |
| IUPAC Name | magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate |
| InChI Key | WAFDWKYNSTVECG-UHFFFAOYSA-L |
| Molecular Formula | C20H16MgN2O12 |
Methyl 4-Acetylbenzoate 98.0+%, TCI America™
CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 137990 |
|---|---|
| CAS | 3609-53-8 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00216474 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b |
| IUPAC Name | methyl 4-acetylbenzoate |
| InChI Key | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
2-Bromo-2'-nitroacetophenone 98.0+%, TCI America™
CAS: 6851-99-6 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.044 MDL Number: MFCD00010294 InChI Key: SGXUUCSRVVSMGK-UHFFFAOYSA-N Synonym: 2-bromo-2'-nitroacetophenone,2'-nitrophenacyl bromide,2-bromo-1-2-nitrophenyl ethanone,2-nitrophenacyl bromide,2-bromo-1-2-nitro-phenyl-ethanone,o-nitrophenacyl bromide,o-nitrophenethyl bromide,2-o-nitrophenyl ethyl bromide,2-bromo-1-2-nitrophenyl ethan-1-one,ethanone, 2-bromo-1-2-nitrophenyl PubChem CID: 244025 IUPAC Name: 2-bromo-1-(2-nitrophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)[N+](=O)[O-]
| PubChem CID | 244025 |
|---|---|
| CAS | 6851-99-6 |
| Molecular Weight (g/mol) | 244.044 |
| MDL Number | MFCD00010294 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)[N+](=O)[O-] |
| Synonym | 2-bromo-2'-nitroacetophenone,2'-nitrophenacyl bromide,2-bromo-1-2-nitrophenyl ethanone,2-nitrophenacyl bromide,2-bromo-1-2-nitro-phenyl-ethanone,o-nitrophenacyl bromide,o-nitrophenethyl bromide,2-o-nitrophenyl ethyl bromide,2-bromo-1-2-nitrophenyl ethan-1-one,ethanone, 2-bromo-1-2-nitrophenyl |
| IUPAC Name | 2-bromo-1-(2-nitrophenyl)ethanone |
| InChI Key | SGXUUCSRVVSMGK-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
3-Methyl-1,5-pentanediol 97.0+%, TCI America™
CAS: 4457-71-0 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00039547 InChI Key: SXFJDZNJHVPHPH-UHFFFAOYSA-N PubChem CID: 20524 IUPAC Name: 3-methylpentane-1,5-diol SMILES: CC(CCO)CCO
| PubChem CID | 20524 |
|---|---|
| CAS | 4457-71-0 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00039547 |
| SMILES | CC(CCO)CCO |
| IUPAC Name | 3-methylpentane-1,5-diol |
| InChI Key | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
1-Methylimidazole-2-carboxaldehyde 98.0+%, TCI America™
CAS: 13750-81-7 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01321308 InChI Key: UEBFLTZXUXZPJO-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 PubChem CID: 139575 IUPAC Name: 1-methyl-1H-imidazole-2-carbaldehyde SMILES: CN1C=CN=C1C=O
| PubChem CID | 139575 |
|---|---|
| CAS | 13750-81-7 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01321308 |
| SMILES | CN1C=CN=C1C=O |
| Synonym | 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 |
| IUPAC Name | 1-methyl-1H-imidazole-2-carbaldehyde |
| InChI Key | UEBFLTZXUXZPJO-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
| PubChem CID | 2736778 |
|---|---|
| CAS | 628692-15-9 |
| Molecular Weight (g/mol) | 153.932 |
| MDL Number | MFCD03094664 |
| Color | Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CN=C(N=C1)OC)(O)O |
| TSCA | No |
| IUPAC Name | (2-methoxypyrimidin-5-yl)boronic acid |
| InChI Key | YPWAJLGHACDYQS-UHFFFAOYSA-N |
| Molecular Formula | C5H7BN2O3 |
| Formula Weight | 153.93 |
| Melting Point | 161°C |
6-Bromo-3-pyridinecarboxaldehyde 98.0+%, TCI America™
CAS: 149806-06-4 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.01 MDL Number: MFCD04115419 InChI Key: PVUKGNBRJFTFNJ-UHFFFAOYSA-N Synonym: 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine PubChem CID: 11769234 IUPAC Name: 6-bromopyridine-3-carbaldehyde SMILES: BrC1=CC=C(C=O)C=N1
| PubChem CID | 11769234 |
|---|---|
| CAS | 149806-06-4 |
| Molecular Weight (g/mol) | 186.01 |
| MDL Number | MFCD04115419 |
| SMILES | BrC1=CC=C(C=O)C=N1 |
| Synonym | 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine |
| IUPAC Name | 6-bromopyridine-3-carbaldehyde |
| InChI Key | PVUKGNBRJFTFNJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
Benzo[1,2-b:4,5-b']dithiophene-4,8-dione 98.0+%, TCI America™
CAS: 32281-36-0 Molecular Formula: C10H4O2S2 Molecular Weight (g/mol): 220.26 InChI Key: SIUXRPJYVQQBAF-UHFFFAOYSA-N PubChem CID: 288478 IUPAC Name: thieno[2,3-f][1]benzothiole-4,8-dione SMILES: C1=CSC2=C1C(=O)C3=C(C2=O)C=CS3
| PubChem CID | 288478 |
|---|---|
| CAS | 32281-36-0 |
| Molecular Weight (g/mol) | 220.26 |
| SMILES | C1=CSC2=C1C(=O)C3=C(C2=O)C=CS3 |
| IUPAC Name | thieno[2,3-f][1]benzothiole-4,8-dione |
| InChI Key | SIUXRPJYVQQBAF-UHFFFAOYSA-N |
| Molecular Formula | C10H4O2S2 |
2-Bromo-5-hydroxybenzaldehyde 97.0+%, TCI America™
CAS: 2973-80-0 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD03033065 InChI Key: SCRQAWQJSSKCFN-UHFFFAOYSA-N Synonym: 4-bromo-3-formylphenol,2-bromo-5-hydroxy-benzaldehyde,2-bromo-5-hydroxy benzaldehyde,benzaldehyde, 2-bromo-5-hydroxy,2-bromo-5-hydroxybenzadehyde,benzaldehyde,2-bromo-5-hydroxy,pubchem14430,acmc-209haw,6-brom-3-oxy-benzaldehyd PubChem CID: 387179 IUPAC Name: 2-bromo-5-hydroxybenzaldehyde SMILES: OC1=CC(C=O)=C(Br)C=C1
| PubChem CID | 387179 |
|---|---|
| CAS | 2973-80-0 |
| Molecular Weight (g/mol) | 201.02 |
| MDL Number | MFCD03033065 |
| SMILES | OC1=CC(C=O)=C(Br)C=C1 |
| Synonym | 4-bromo-3-formylphenol,2-bromo-5-hydroxy-benzaldehyde,2-bromo-5-hydroxy benzaldehyde,benzaldehyde, 2-bromo-5-hydroxy,2-bromo-5-hydroxybenzadehyde,benzaldehyde,2-bromo-5-hydroxy,pubchem14430,acmc-209haw,6-brom-3-oxy-benzaldehyd |
| IUPAC Name | 2-bromo-5-hydroxybenzaldehyde |
| InChI Key | SCRQAWQJSSKCFN-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
5-Bromo-3-pyridinemethanol 98.0+%, TCI America™
CAS: 37669-64-0 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD03265757 InChI Key: WDVDHJLKXYCOFS-UHFFFAOYSA-N Synonym: 5-bromopyridin-3-yl methanol,5-bromo-3-pyridinemethanol,3-bromo-5-hydroxymethylpyridine,5-bromo-3-hydroxymethylpyridine,5-bromo-3-pyridinyl methanol,5-bromo-pyridin-3-yl-methanol,3-pyridinemethanol, 5-bromo,5-bromo-3-pyridyl methan-1-ol,3-bromo-5-hydroxymethyl pyridine,3-bromo-pyridin-5-yl methanol PubChem CID: 2784733 IUPAC Name: (5-bromopyridin-3-yl)methanol SMILES: OCC1=CC(Br)=CN=C1
| PubChem CID | 2784733 |
|---|---|
| CAS | 37669-64-0 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD03265757 |
| SMILES | OCC1=CC(Br)=CN=C1 |
| Synonym | 5-bromopyridin-3-yl methanol,5-bromo-3-pyridinemethanol,3-bromo-5-hydroxymethylpyridine,5-bromo-3-hydroxymethylpyridine,5-bromo-3-pyridinyl methanol,5-bromo-pyridin-3-yl-methanol,3-pyridinemethanol, 5-bromo,5-bromo-3-pyridyl methan-1-ol,3-bromo-5-hydroxymethyl pyridine,3-bromo-pyridin-5-yl methanol |
| IUPAC Name | (5-bromopyridin-3-yl)methanol |
| InChI Key | WDVDHJLKXYCOFS-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
4-Methoxypyrimidine 98.0+%, TCI America™
CAS: 6104-41-2 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.116 MDL Number: MFCD12405815 InChI Key: PENVYHXKYYCYML-UHFFFAOYSA-N PubChem CID: 303830 IUPAC Name: 4-methoxypyrimidine SMILES: COC1=NC=NC=C1
| PubChem CID | 303830 |
|---|---|
| CAS | 6104-41-2 |
| Molecular Weight (g/mol) | 110.116 |
| MDL Number | MFCD12405815 |
| SMILES | COC1=NC=NC=C1 |
| IUPAC Name | 4-methoxypyrimidine |
| InChI Key | PENVYHXKYYCYML-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
Methoxyacetic Acid 96.0+%, TCI America™
CAS: 625-45-6 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00004308 InChI Key: RMIODHQZRUFFFF-UHFFFAOYSA-N Synonym: methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518 PubChem CID: 12251 IUPAC Name: 2-methoxyacetic acid SMILES: COCC(=O)O
| PubChem CID | 12251 |
|---|---|
| CAS | 625-45-6 |
| Molecular Weight (g/mol) | 90.078 |
| MDL Number | MFCD00004308 |
| SMILES | COCC(=O)O |
| Synonym | methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518 |
| IUPAC Name | 2-methoxyacetic acid |
| InChI Key | RMIODHQZRUFFFF-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
Ethyl L-(+)-Mandelate 98.0+%, TCI America™
CAS: 13704-09-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00064249 InChI Key: SAXHIDRUJXPDOD-VIFPVBQESA-N Synonym: L-(+)-Mandelic Acid Ethyl Ester PubChem CID: 6951557 ChEBI: CHEBI:78405 IUPAC Name: ethyl (2S)-2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 6951557 |
|---|---|
| CAS | 13704-09-1 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:78405 |
| MDL Number | MFCD00064249 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | L-(+)-Mandelic Acid Ethyl Ester |
| IUPAC Name | ethyl (2S)-2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-VIFPVBQESA-N |
| Molecular Formula | C10H12O3 |
Monoethyl Potassium Malonate 98.0+%, TCI America™
CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.205 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]
| PubChem CID | 3446434 |
|---|---|
| CAS | 6148-64-7 |
| Molecular Weight (g/mol) | 170.205 |
| MDL Number | MFCD00035603 |
| SMILES | CCOC(=O)CC(=O)[O-].[K+] |
| Synonym | ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate |
| IUPAC Name | potassium;3-ethoxy-3-oxopropanoate |
| InChI Key | WVUCPRGADMCTBN-UHFFFAOYSA-M |
| Molecular Formula | C5H7KO4 |
2-Methoxy-2-(1-naphthyl)propionic Acid 98.0+%, TCI America™
CAS: 63628-25-1 Molecular Formula: C14H14O3 Molecular Weight (g/mol): 230.263 MDL Number: MFCD03093635 InChI Key: YVWMPILNFZOQSZ-UHFFFAOYSA-N Synonym: alpha-Methoxy-alpha-methyl-1-naphthaleneacetic Acid PubChem CID: 11218470 IUPAC Name: 2-methoxy-2-naphthalen-1-ylpropanoic acid SMILES: CC(C1=CC=CC2=CC=CC=C21)(C(=O)O)OC
| PubChem CID | 11218470 |
|---|---|
| CAS | 63628-25-1 |
| Molecular Weight (g/mol) | 230.263 |
| MDL Number | MFCD03093635 |
| SMILES | CC(C1=CC=CC2=CC=CC=C21)(C(=O)O)OC |
| Synonym | alpha-Methoxy-alpha-methyl-1-naphthaleneacetic Acid |
| IUPAC Name | 2-methoxy-2-naphthalen-1-ylpropanoic acid |
| InChI Key | YVWMPILNFZOQSZ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O3 |