
Organooxygen compounds
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4'-tert-Butylacetophenone, 98%, Thermo Scientific Chemicals
CAS: 943-27-1 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00017256 InChI Key: UYFJYGWNYQCHOB-UHFFFAOYSA-N Synonym: 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone PubChem CID: 13669 IUPAC Name: 1-(4-tert-butylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C(C)(C)C

PubChem CID | 13669 |
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CAS | 943-27-1 |
Molecular Weight (g/mol) | 176.26 |
MDL Number | MFCD00017256 |
SMILES | CC(=O)C1=CC=C(C=C1)C(C)(C)C |
Synonym | 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone |
IUPAC Name | 1-(4-tert-butylphenyl)ethanone |
InChI Key | UYFJYGWNYQCHOB-UHFFFAOYSA-N |
Molecular Formula | C12H16O |
2-Formylbenzenesulfonic acid, sodium salt, 90%, tech.
CAS: 1008-72-6 Molecular Formula: C7H5NaO4S Molecular Weight (g/mol): 208.16 MDL Number: MFCD00007478 InChI Key: ADPUQRRLAAPXGT-UHFFFAOYSA-M Synonym: sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate PubChem CID: 3794540 IUPAC Name: sodium;2-formylbenzenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O

PubChem CID | 3794540 |
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CAS | 1008-72-6 |
Molecular Weight (g/mol) | 208.16 |
MDL Number | MFCD00007478 |
SMILES | [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O |
Synonym | sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate |
IUPAC Name | sodium;2-formylbenzenesulfonate |
InChI Key | ADPUQRRLAAPXGT-UHFFFAOYSA-M |
Molecular Formula | C7H5NaO4S |
4-Methoxy-3-buten-2-one, 90%, tech.
CAS: 4652-27-1 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008778,MFCD00008778,MFCD00008778 InChI Key: VLLHEPHWWIDUSS-ARJAWSKDSA-N Synonym: z-4-methoxybut-3-en-2-one,3z-4-methoxybut-3-en-2-one,3-buten-2-one, 4-methoxy-, 3z,z-4-methoxy-3-butene-2-one PubChem CID: 643837 IUPAC Name: (Z)-4-methoxybut-3-en-2-one SMILES: CO\C=C/C(C)=O

PubChem CID | 643837 |
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CAS | 4652-27-1 |
Molecular Weight (g/mol) | 100.12 |
MDL Number | MFCD00008778,MFCD00008778,MFCD00008778 |
SMILES | CO\C=C/C(C)=O |
Synonym | z-4-methoxybut-3-en-2-one,3z-4-methoxybut-3-en-2-one,3-buten-2-one, 4-methoxy-, 3z,z-4-methoxy-3-butene-2-one |
IUPAC Name | (Z)-4-methoxybut-3-en-2-one |
InChI Key | VLLHEPHWWIDUSS-ARJAWSKDSA-N |
Molecular Formula | C5H8O2 |
Aminoacetaldehyde dimethyl acetal, 99%
CAS: 22483-09-6 MDL Number: MFCD00008135 InChI Key: QKWWDTYDYOFRJL-UHFFFAOYSA-N Synonym: aminoacetaldehyde dimethyl acetal,2,2-dimethoxyethylamine,ethanamine, 2,2-dimethoxy,2,2-dimethoxyethan-1-amine,dimethylaminoacetal,amino acetaldehyde dimethyl acetal,1-amino-2,2-dimethoxyethane,2-aminoacetaldehyde dimethyl acetal,acetaldehyde, amino-, dimethyl acetal,acmc-209fwr PubChem CID: 89728 IUPAC Name: 2,2-dimethoxyethanamine SMILES: COC(CN)OC

PubChem CID | 89728 |
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CAS | 22483-09-6 |
MDL Number | MFCD00008135 |
SMILES | COC(CN)OC |
Synonym | aminoacetaldehyde dimethyl acetal,2,2-dimethoxyethylamine,ethanamine, 2,2-dimethoxy,2,2-dimethoxyethan-1-amine,dimethylaminoacetal,amino acetaldehyde dimethyl acetal,1-amino-2,2-dimethoxyethane,2-aminoacetaldehyde dimethyl acetal,acetaldehyde, amino-, dimethyl acetal,acmc-209fwr |
IUPAC Name | 2,2-dimethoxyethanamine |
InChI Key | QKWWDTYDYOFRJL-UHFFFAOYSA-N |
5-Bromoisatin, 98%
CAS: 87-48-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD00005719 InChI Key: MBVCESWADCIXJN-UHFFFAOYSA-N Synonym: 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate PubChem CID: 6889 IUPAC Name: 5-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)N2

PubChem CID | 6889 |
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CAS | 87-48-9 |
Molecular Weight (g/mol) | 226.03 |
MDL Number | MFCD00005719 |
SMILES | C1=CC2=C(C=C1Br)C(=O)C(=O)N2 |
Synonym | 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate |
IUPAC Name | 5-bromo-1H-indole-2,3-dione |
InChI Key | MBVCESWADCIXJN-UHFFFAOYSA-N |
Molecular Formula | C8H4BrNO2 |
2,6-Diacetylpyridine, 99%
CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O

PubChem CID | 70790 |
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CAS | 1129-30-2 |
Molecular Weight (g/mol) | 163.18 |
MDL Number | MFCD00006304 |
SMILES | CC(=O)C1=CC=CC(=N1)C(C)=O |
Synonym | 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 |
IUPAC Name | 1-(6-acetylpyridin-2-yl)ethanone |
InChI Key | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
Molecular Formula | C9H9NO2 |
(R)-(-)-1-Methoxy-2-propanol, 98+%
CAS: 4984-22-9 MDL Number: MFCD01632587 InChI Key: ARXJGSRGQADJSQ-SCSAIBSYSA-N Synonym: r---1-methoxy-2-propanol,2r-1-methoxypropan-2-ol,r-1-methoxypropan-2-ol,r-1-methoxy-2-propanol,r-1-methoxy-propan-2-ol,2-propanol, 1-methoxy-, 2r,20s-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol,pubchem6714,r-methoxy-propan-2-ol PubChem CID: 2733589 IUPAC Name: (2R)-1-methoxypropan-2-ol SMILES: CC(COC)O

PubChem CID | 2733589 |
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CAS | 4984-22-9 |
MDL Number | MFCD01632587 |
SMILES | CC(COC)O |
Synonym | r---1-methoxy-2-propanol,2r-1-methoxypropan-2-ol,r-1-methoxypropan-2-ol,r-1-methoxy-2-propanol,r-1-methoxy-propan-2-ol,2-propanol, 1-methoxy-, 2r,20s-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol,pubchem6714,r-methoxy-propan-2-ol |
IUPAC Name | (2R)-1-methoxypropan-2-ol |
InChI Key | ARXJGSRGQADJSQ-SCSAIBSYSA-N |
(S)-(-)-2-Methoxypropionic acid, 98%
CAS: 23953-00-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD01632589 InChI Key: ICPWFHKNYYRBSZ-VKHMYHEASA-N Synonym: s-2-methoxypropanoic acid,s---2-methoxypropionic acid,2s-2-methoxypropanoic acid,propanoic acid, 2-methoxy-, 2s,unii-74k293ocx6,2-methoxypropanoic acid, s,propanoic acid,2-methoxy-, 2s,propanoic acid, 2-methoxy-, s,propionic acid, 2-methoxy-, s--,s-2-methoxypropionic acid PubChem CID: 5702566 IUPAC Name: (2S)-2-methoxypropanoic acid SMILES: CC(C(=O)O)OC

PubChem CID | 5702566 |
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CAS | 23953-00-6 |
Molecular Weight (g/mol) | 104.11 |
MDL Number | MFCD01632589 |
SMILES | CC(C(=O)O)OC |
Synonym | s-2-methoxypropanoic acid,s---2-methoxypropionic acid,2s-2-methoxypropanoic acid,propanoic acid, 2-methoxy-, 2s,unii-74k293ocx6,2-methoxypropanoic acid, s,propanoic acid,2-methoxy-, 2s,propanoic acid, 2-methoxy-, s,propionic acid, 2-methoxy-, s--,s-2-methoxypropionic acid |
IUPAC Name | (2S)-2-methoxypropanoic acid |
InChI Key | ICPWFHKNYYRBSZ-VKHMYHEASA-N |
Molecular Formula | C4H8O3 |
3-Methyl-1-pentanol, 99+%
CAS: 589-35-5 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00002937 InChI Key: IWTBVKIGCDZRPL-UHFFFAOYSA-N Synonym: 3-methyl-1-pentanol,3-methylpentanol,1-pentanol, 3-methyl,2-ethyl-4-butanol,3-ethyl-1-butanol,3-ethylbutanol,3-methyl pentanol,fema no. 3762,3-methyl pentan-1-ol,3-methyl-pentan-1-ol PubChem CID: 11508 ChEBI: CHEBI:87381 IUPAC Name: 3-methylpentan-1-ol SMILES: CCC(C)CCO

PubChem CID | 11508 |
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CAS | 589-35-5 |
Molecular Weight (g/mol) | 102.18 |
ChEBI | CHEBI:87381 |
MDL Number | MFCD00002937 |
SMILES | CCC(C)CCO |
Synonym | 3-methyl-1-pentanol,3-methylpentanol,1-pentanol, 3-methyl,2-ethyl-4-butanol,3-ethyl-1-butanol,3-ethylbutanol,3-methyl pentanol,fema no. 3762,3-methyl pentan-1-ol,3-methyl-pentan-1-ol |
IUPAC Name | 3-methylpentan-1-ol |
InChI Key | IWTBVKIGCDZRPL-UHFFFAOYSA-N |
Molecular Formula | C6H14O |
Methyl 2-cyclopentanonecarboxylate, 96%
CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.15 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

PubChem CID | 66328 |
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CAS | 10472-24-9 |
Molecular Weight (g/mol) | 142.15 |
MDL Number | MFCD00001411 |
SMILES | COC(=O)C1CCCC1=O |
Synonym | methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane |
IUPAC Name | methyl 2-oxocyclopentane-1-carboxylate |
InChI Key | PZBBESSUKAHBHD-UHFFFAOYSA-N |
Molecular Formula | C7H10O3 |
3-Bromo-1-propanol, 97%
CAS: 627-18-9 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.99 MDL Number: MFCD00002942 InChI Key: RQFUZUMFPRMVDX-UHFFFAOYSA-N Synonym: 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh PubChem CID: 12308 IUPAC Name: 3-bromopropan-1-ol SMILES: OCCCBr

PubChem CID | 12308 |
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CAS | 627-18-9 |
Molecular Weight (g/mol) | 138.99 |
MDL Number | MFCD00002942 |
SMILES | OCCCBr |
Synonym | 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh |
IUPAC Name | 3-bromopropan-1-ol |
InChI Key | RQFUZUMFPRMVDX-UHFFFAOYSA-N |
Molecular Formula | C3H7BrO |
Ethyl 2-oxocyclopentanecarboxylate, 95+%
CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

PubChem CID | 69136 |
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CAS | 611-10-9 |
Molecular Weight (g/mol) | 156.18 |
MDL Number | MFCD00001412 |
SMILES | CCOC(=O)C1CCCC1=O |
IUPAC Name | ethyl 2-oxocyclopentane-1-carboxylate |
InChI Key | JHZPNBKZPAWCJD-UHFFFAOYSA-N |
Molecular Formula | C8H12O3 |
2,4-Dihydroxybenzaldehyde, 98%
CAS: 95-01-2 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00011686 InChI Key: IUNJCFABHJZSKB-UHFFFAOYSA-N Synonym: beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde PubChem CID: 7213 ChEBI: CHEBI:50198 IUPAC Name: 2,4-dihydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C(O)=C1

PubChem CID | 7213 |
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CAS | 95-01-2 |
Molecular Weight (g/mol) | 138.12 |
ChEBI | CHEBI:50198 |
MDL Number | MFCD00011686 |
SMILES | OC1=CC=C(C=O)C(O)=C1 |
Synonym | beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde |
IUPAC Name | 2,4-dihydroxybenzaldehyde |
InChI Key | IUNJCFABHJZSKB-UHFFFAOYSA-N |
Molecular Formula | C7H6O3 |
Pyruvic aldehyde dimethyl acetal, 98%
CAS: 6342-56-9 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00008758 InChI Key: ULVSHNOGEVXRDR-UHFFFAOYSA-N Synonym: 1,1-dimethoxyacetone,pyruvic aldehyde dimethyl acetal,2-propanone, 1,1-dimethoxy,methylglyoxal dimethyl acetal,1,1-dimethoxy-2-propanone,dimethoxymethyl methyl ketone,pyruvaldehyde dimethyl acetal,1,1-dimethoxy acetone,dimethoxyacetone,pyruvaldehyde, 1-dimethyl acetal PubChem CID: 80650 IUPAC Name: 1,1-dimethoxypropan-2-one SMILES: CC(=O)C(OC)OC

PubChem CID | 80650 |
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CAS | 6342-56-9 |
Molecular Weight (g/mol) | 118.13 |
MDL Number | MFCD00008758 |
SMILES | CC(=O)C(OC)OC |
Synonym | 1,1-dimethoxyacetone,pyruvic aldehyde dimethyl acetal,2-propanone, 1,1-dimethoxy,methylglyoxal dimethyl acetal,1,1-dimethoxy-2-propanone,dimethoxymethyl methyl ketone,pyruvaldehyde dimethyl acetal,1,1-dimethoxy acetone,dimethoxyacetone,pyruvaldehyde, 1-dimethyl acetal |
IUPAC Name | 1,1-dimethoxypropan-2-one |
InChI Key | ULVSHNOGEVXRDR-UHFFFAOYSA-N |
Molecular Formula | C5H10O3 |
4-Ethoxybenzaldehyde, 99%
CAS: 10031-82-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00003388 InChI Key: JRHHJNMASOIRDS-UHFFFAOYSA-N Synonym: benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p PubChem CID: 24834 IUPAC Name: 4-ethoxybenzaldehyde SMILES: CCOC1=CC=C(C=O)C=C1

PubChem CID | 24834 |
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CAS | 10031-82-0 |
Molecular Weight (g/mol) | 150.18 |
MDL Number | MFCD00003388 |
SMILES | CCOC1=CC=C(C=O)C=C1 |
Synonym | benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p |
IUPAC Name | 4-ethoxybenzaldehyde |
InChI Key | JRHHJNMASOIRDS-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |