Organooxygen compounds
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2,3-Dimercapto-1-propanol 95.0+%, TCI America™
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CAS: 59-52-9 Molecular Formula: C3H8OS2 Molecular Weight (g/mol): 124.216 MDL Number: MFCD00004864 InChI Key: WQABCVAJNWAXTE-UHFFFAOYSA-N Synonym: dimercaprol,2,3-dimercapto-1-propanol,2,3-dimercaptopropanol,dithioglycerine,dicaptol,sulfactin,dimercaptopropanol,british anti-lewisite,2,3-dithiopropanol,antoxol PubChem CID: 3080 ChEBI: CHEBI:64198 IUPAC Name: 2,3-bis(sulfanyl)propan-1-ol SMILES: C(C(CS)S)O
| PubChem CID | 3080 |
|---|---|
| CAS | 59-52-9 |
| Molecular Weight (g/mol) | 124.216 |
| ChEBI | CHEBI:64198 |
| MDL Number | MFCD00004864 |
| SMILES | C(C(CS)S)O |
| Synonym | dimercaprol,2,3-dimercapto-1-propanol,2,3-dimercaptopropanol,dithioglycerine,dicaptol,sulfactin,dimercaptopropanol,british anti-lewisite,2,3-dithiopropanol,antoxol |
| IUPAC Name | 2,3-bis(sulfanyl)propan-1-ol |
| InChI Key | WQABCVAJNWAXTE-UHFFFAOYSA-N |
| Molecular Formula | C3H8OS2 |
Cyclohexyl Phenyl Ketone 98.0+%, TCI America™
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CAS: 712-50-5 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00001467 InChI Key: BMFYCFSWWDXEPB-UHFFFAOYSA-N Synonym: cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone PubChem CID: 12837 IUPAC Name: cyclohexyl(phenyl)methanone SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
| PubChem CID | 12837 |
|---|---|
| CAS | 712-50-5 |
| Molecular Weight (g/mol) | 188.27 |
| MDL Number | MFCD00001467 |
| SMILES | C1CCC(CC1)C(=O)C2=CC=CC=C2 |
| Synonym | cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone |
| IUPAC Name | cyclohexyl(phenyl)methanone |
| InChI Key | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| Molecular Formula | C13H16O |
Diphenoxymethane 98.0+%, TCI America™
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CAS: 4442-41-5 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00191642 InChI Key: VTXLTXPNXYLCQD-UHFFFAOYSA-N Synonym: Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether PubChem CID: 78183 IUPAC Name: phenoxymethoxybenzene SMILES: C1=CC=C(C=C1)OCOC2=CC=CC=C2
| PubChem CID | 78183 |
|---|---|
| CAS | 4442-41-5 |
| Molecular Weight (g/mol) | 200.237 |
| MDL Number | MFCD00191642 |
| SMILES | C1=CC=C(C=C1)OCOC2=CC=CC=C2 |
| Synonym | Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether |
| IUPAC Name | phenoxymethoxybenzene |
| InChI Key | VTXLTXPNXYLCQD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
cis-2-Penten-1-ol 95.0+%, TCI America™
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CAS: 1576-95-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00063208 InChI Key: BTSIZIIPFNVMHF-ARJAWSKDSA-N Synonym: cis-2-penten-1-ol,z-pent-2-en-1-ol,z-2-penten-1-ol,2-penten-1-ol, z,e-2-penten-1-ol,unii-qnc2nb53mj,2z-penten-1-ol,cis-2-pentenol,qnc2nb53mj,pent-2 e-enol PubChem CID: 5364919 IUPAC Name: (2Z)-pent-2-en-1-ol SMILES: CC\C=C/CO
| PubChem CID | 5364919 |
|---|---|
| CAS | 1576-95-0 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00063208 |
| SMILES | CC\C=C/CO |
| Synonym | cis-2-penten-1-ol,z-pent-2-en-1-ol,z-2-penten-1-ol,2-penten-1-ol, z,e-2-penten-1-ol,unii-qnc2nb53mj,2z-penten-1-ol,cis-2-pentenol,qnc2nb53mj,pent-2 e-enol |
| IUPAC Name | (2Z)-pent-2-en-1-ol |
| InChI Key | BTSIZIIPFNVMHF-ARJAWSKDSA-N |
| Molecular Formula | C5H10O |
Indole-5-carboxaldehyde 98.0+%, TCI America™
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CAS: 1196-69-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD02093664 InChI Key: ADZUEEUKBYCSEY-UHFFFAOYSA-N Synonym: indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole PubChem CID: 589040 IUPAC Name: 1H-indole-5-carbaldehyde SMILES: C1=CC2=C(C=CN2)C=C1C=O
| PubChem CID | 589040 |
|---|---|
| CAS | 1196-69-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD02093664 |
| SMILES | C1=CC2=C(C=CN2)C=C1C=O |
| Synonym | indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole |
| IUPAC Name | 1H-indole-5-carbaldehyde |
| InChI Key | ADZUEEUKBYCSEY-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
2'-Methylacetophenone 98.0+%, TCI America™
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CAS: 577-16-2 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00008734 InChI Key: YXWWHNCQZBVZPV-UHFFFAOYSA-N Synonym: 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl PubChem CID: 11340 IUPAC Name: 1-(2-methylphenyl)ethanone SMILES: CC1=CC=CC=C1C(=O)C
| PubChem CID | 11340 |
|---|---|
| CAS | 577-16-2 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00008734 |
| SMILES | CC1=CC=CC=C1C(=O)C |
| Synonym | 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl |
| IUPAC Name | 1-(2-methylphenyl)ethanone |
| InChI Key | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2,5-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 1194-98-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003333 InChI Key: CLFRCXCBWIQVRN-UHFFFAOYSA-N Synonym: gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy PubChem CID: 70949 ChEBI: CHEBI:28508 IUPAC Name: 2,5-dihydroxybenzaldehyde SMILES: OC1=CC=C(O)C(C=O)=C1
| PubChem CID | 70949 |
|---|---|
| CAS | 1194-98-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:28508 |
| MDL Number | MFCD00003333 |
| SMILES | OC1=CC=C(O)C(C=O)=C1 |
| Synonym | gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy |
| IUPAC Name | 2,5-dihydroxybenzaldehyde |
| InChI Key | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
Ethyl (4-Fluorobenzoyl)acetate 98.0+%, TCI America™
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CAS: 1999-00-4 Molecular Formula: C11H11FO3 Molecular Weight (g/mol): 210.204 MDL Number: MFCD03093631 InChI Key: SJUXLKYJKQBZLM-UHFFFAOYSA-N Synonym: ethyl 3-4-fluorophenyl-3-oxopropanoate,ethyl 4-fluorobenzoylacetate,ethyl 4-fluorobenzoyl acetate,4-fluorobenzoylacetic acid ethyl ester,ethyl p-fluorobenzoyl acetate,4-fluorobenzoyl acetic acid ethyl ester,ethyl 3-4-fluorophenyl-3-oxopropionate,ethyl 3-4'-fluorophenyl-3-oxopropanoate,ethyl 4'-fluorobenzoylacetate,3-4-fluoro-phenyl-3-oxo-propionic acid ethyl ester PubChem CID: 2758844 IUPAC Name: ethyl 3-(4-fluorophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)F
| PubChem CID | 2758844 |
|---|---|
| CAS | 1999-00-4 |
| Molecular Weight (g/mol) | 210.204 |
| MDL Number | MFCD03093631 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)F |
| Synonym | ethyl 3-4-fluorophenyl-3-oxopropanoate,ethyl 4-fluorobenzoylacetate,ethyl 4-fluorobenzoyl acetate,4-fluorobenzoylacetic acid ethyl ester,ethyl p-fluorobenzoyl acetate,4-fluorobenzoyl acetic acid ethyl ester,ethyl 3-4-fluorophenyl-3-oxopropionate,ethyl 3-4'-fluorophenyl-3-oxopropanoate,ethyl 4'-fluorobenzoylacetate,3-4-fluoro-phenyl-3-oxo-propionic acid ethyl ester |
| IUPAC Name | ethyl 3-(4-fluorophenyl)-3-oxopropanoate |
| InChI Key | SJUXLKYJKQBZLM-UHFFFAOYSA-N |
| Molecular Formula | C11H11FO3 |
2-(4-Methoxybenzoyl)thiophene 98.0+%, TCI America™
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Methyl L-(+)-Mandelate 98.0+%, TCI America™
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CAS: 21210-43-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00064246 InChI Key: ITATYELQCJRCCK-UHFFFAOYNA-N Synonym: methyl s-+-mandelate,s-+-methyl mandelate,s-methyl 2-hydroxy-2-phenylacetate,methyl 2s-2-hydroxy-2-phenylacetate,s-methyl mandelate,l-+-mandelic acid methyl ester,+-methyl l-mandelate,methyl l-+-mandelate,methyl hydroxy phenyl acetate #,methyl s-mandelate PubChem CID: 643570 IUPAC Name: methyl 2-hydroxy-2-phenylacetate SMILES: COC(=O)C(O)C1=CC=CC=C1
| PubChem CID | 643570 |
|---|---|
| CAS | 21210-43-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00064246 |
| SMILES | COC(=O)C(O)C1=CC=CC=C1 |
| Synonym | methyl s-+-mandelate,s-+-methyl mandelate,s-methyl 2-hydroxy-2-phenylacetate,methyl 2s-2-hydroxy-2-phenylacetate,s-methyl mandelate,l-+-mandelic acid methyl ester,+-methyl l-mandelate,methyl l-+-mandelate,methyl hydroxy phenyl acetate #,methyl s-mandelate |
| IUPAC Name | methyl 2-hydroxy-2-phenylacetate |
| InChI Key | ITATYELQCJRCCK-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
5-Methoxyisatin 95.0+%, TCI America™
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CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 IUPAC Name: 5-methoxy-2,3-dihydro-1H-indole-2,3-dione SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 38333 |
|---|---|
| CAS | 39755-95-8 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00169023 |
| SMILES | COC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci |
| IUPAC Name | 5-methoxy-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3 |
Nonadecanophenone 97.0+%, TCI America™
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CAS: 103044-68-4 Molecular Formula: C25H42O Molecular Weight (g/mol): 358.61 MDL Number: MFCD00094242 InChI Key: WTWRNRBSHQDWMY-UHFFFAOYSA-N Synonym: Octadecyl Phenyl Ketone PubChem CID: 4657534 IUPAC Name: 1-phenylnonadecan-1-one SMILES: CCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 4657534 |
|---|---|
| CAS | 103044-68-4 |
| Molecular Weight (g/mol) | 358.61 |
| MDL Number | MFCD00094242 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Octadecyl Phenyl Ketone |
| IUPAC Name | 1-phenylnonadecan-1-one |
| InChI Key | WTWRNRBSHQDWMY-UHFFFAOYSA-N |
| Molecular Formula | C25H42O |
cis-4-(Hydroxymethyl)cyclohexanecarboxylic Acid 98.0+%, TCI America™
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CAS: 73094-35-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: C1CC(CCC1CO)C(=O)O
| PubChem CID | 202819 |
|---|---|
| CAS | 73094-35-6 |
| Molecular Weight (g/mol) | 158.197 |
| SMILES | C1CC(CCC1CO)C(=O)O |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol 98.0+%, TCI America™
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CAS: 646-97-9 Molecular Formula: C6H6F6O Molecular Weight (g/mol): 208.10 MDL Number: MFCD03092986 InChI Key: VHSCQANAKTXZTG-UHFFFAOYSA-N PubChem CID: 328870 IUPAC Name: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol SMILES: OC(CC=C)(C(F)(F)F)C(F)(F)F
| PubChem CID | 328870 |
|---|---|
| CAS | 646-97-9 |
| Molecular Weight (g/mol) | 208.10 |
| MDL Number | MFCD03092986 |
| SMILES | OC(CC=C)(C(F)(F)F)C(F)(F)F |
| IUPAC Name | 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol |
| InChI Key | VHSCQANAKTXZTG-UHFFFAOYSA-N |
| Molecular Formula | C6H6F6O |
1,3-Bis(methoxymethoxy)benzene 98.0+%, TCI America™
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CAS: 57234-29-4 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD27925713 InChI Key: TZZPMRGYEPMHLA-UHFFFAOYSA-N Synonym: Resorcinol Bis(methoxymethyl) Ether PubChem CID: 12222682 IUPAC Name: 1,3-bis(methoxymethoxy)benzene SMILES: COCOC1=CC(OCOC)=CC=C1
| PubChem CID | 12222682 |
|---|---|
| CAS | 57234-29-4 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD27925713 |
| SMILES | COCOC1=CC(OCOC)=CC=C1 |
| Synonym | Resorcinol Bis(methoxymethyl) Ether |
| IUPAC Name | 1,3-bis(methoxymethoxy)benzene |
| InChI Key | TZZPMRGYEPMHLA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |