Organooxygen compounds
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Tropaeolin O, TCI America™
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CAS: 547-57-9 Molecular Formula: C12H10N2NaO5S Molecular Weight (g/mol): 317.271 MDL Number: MFCD00007499 InChI Key: YOGUPPQYRWYKGT-IRIIKGHASA-N Synonym: tropaeolin o PubChem CID: 87071197 IUPAC Name: 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium SMILES: C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na]
| PubChem CID | 87071197 |
|---|---|
| CAS | 547-57-9 |
| Molecular Weight (g/mol) | 317.271 |
| MDL Number | MFCD00007499 |
| SMILES | C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na] |
| Synonym | tropaeolin o |
| IUPAC Name | 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium |
| InChI Key | YOGUPPQYRWYKGT-IRIIKGHASA-N |
| Molecular Formula | C12H10N2NaO5S |
4-Hydroxy-2,6-dimethoxybenzaldehyde 97.0+%, TCI America™
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CAS: 22080-96-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD01407645 InChI Key: HZWPJAZIRZFCGX-UHFFFAOYSA-N PubChem CID: 529894 IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde SMILES: COC1=CC(O)=CC(OC)=C1C=O
| PubChem CID | 529894 |
|---|---|
| CAS | 22080-96-2 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD01407645 |
| SMILES | COC1=CC(O)=CC(OC)=C1C=O |
| IUPAC Name | 4-hydroxy-2,6-dimethoxybenzaldehyde |
| InChI Key | HZWPJAZIRZFCGX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
3-(Methoxymethoxy)benzaldehyde 95.0+%, TCI America™
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CAS: 13709-05-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD04038425 InChI Key: JAFJNSQISURLCX-UHFFFAOYSA-N PubChem CID: 12273513 IUPAC Name: 3-(methoxymethoxy)benzaldehyde SMILES: COCOC1=CC=CC(=C1)C=O
| PubChem CID | 12273513 |
|---|---|
| CAS | 13709-05-2 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD04038425 |
| SMILES | COCOC1=CC=CC(=C1)C=O |
| IUPAC Name | 3-(methoxymethoxy)benzaldehyde |
| InChI Key | JAFJNSQISURLCX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
4-Amyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 5736-91-4 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00014135 InChI Key: YAPVGSXODFOBBR-UHFFFAOYSA-N Synonym: 4-pentyloxy benzaldehyde,4-amyloxybenzaldehyde,p-pentyloxybenzaldehyde,benzaldehyde, 4-pentyloxy,4-pentyloxybenzaldehyde,benzaldehyde, p-pentyloxy,p-amyloxy benzaldehyde,4-n-amyloxybenzaldehyde,4-n-pentyloxybenzaldehyde,p-pentyloxy benzaldehyde PubChem CID: 79815 IUPAC Name: 4-pentoxybenzaldehyde SMILES: CCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 79815 |
|---|---|
| CAS | 5736-91-4 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00014135 |
| SMILES | CCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-pentyloxy benzaldehyde,4-amyloxybenzaldehyde,p-pentyloxybenzaldehyde,benzaldehyde, 4-pentyloxy,4-pentyloxybenzaldehyde,benzaldehyde, p-pentyloxy,p-amyloxy benzaldehyde,4-n-amyloxybenzaldehyde,4-n-pentyloxybenzaldehyde,p-pentyloxy benzaldehyde |
| IUPAC Name | 4-pentoxybenzaldehyde |
| InChI Key | YAPVGSXODFOBBR-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
3-Butoxypropylamine 98.0+%, TCI America™
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CAS: 16499-88-0 Molecular Formula: C7H17NO Molecular Weight (g/mol): 131.219 MDL Number: MFCD00025622 InChI Key: LPUBRQWGZPPVBS-UHFFFAOYSA-N Synonym: 3-butoxypropylamine,3-butoxypropanamine,1-propanamine, 3-butoxy,3-butoxy-1-propylamine,3-n-butoxypropylamine,butoxypropylamine,3-n-butoxy-1-propylamine,3-butoxy propylamine,3-butyloxypropyl amine,3-n-butoxyaminopropane PubChem CID: 85461 IUPAC Name: 3-butoxypropan-1-amine SMILES: CCCCOCCCN
| PubChem CID | 85461 |
|---|---|
| CAS | 16499-88-0 |
| Molecular Weight (g/mol) | 131.219 |
| MDL Number | MFCD00025622 |
| SMILES | CCCCOCCCN |
| Synonym | 3-butoxypropylamine,3-butoxypropanamine,1-propanamine, 3-butoxy,3-butoxy-1-propylamine,3-n-butoxypropylamine,butoxypropylamine,3-n-butoxy-1-propylamine,3-butoxy propylamine,3-butyloxypropyl amine,3-n-butoxyaminopropane |
| IUPAC Name | 3-butoxypropan-1-amine |
| InChI Key | LPUBRQWGZPPVBS-UHFFFAOYSA-N |
| Molecular Formula | C7H17NO |
3,4-Dichlorobenzaldehyde 98.0+%, TCI America™
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CAS: 6287-38-3 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003351 InChI Key: ZWUSBSHBFFPRNE-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 PubChem CID: 22710 IUPAC Name: 3,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Cl)Cl
| PubChem CID | 22710 |
|---|---|
| CAS | 6287-38-3 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003351 |
| SMILES | C1=CC(=C(C=C1C=O)Cl)Cl |
| Synonym | benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 |
| IUPAC Name | 3,4-dichlorobenzaldehyde |
| InChI Key | ZWUSBSHBFFPRNE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
1,14-Diamino-3,6,9,12-tetraoxatetradecane 97.0+%, TCI America™
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CAS: 68960-97-4 Molecular Formula: C10H24N2O4 Molecular Weight (g/mol): 236.312 InChI Key: IFZOPNLVYZYSMQ-UHFFFAOYSA-N Synonym: 3,6,9,12-Tetraoxatetradecane-1,14-diamine, Triethylene Glycol Bis(2-aminoethyl) Ether PubChem CID: 10198598 IUPAC Name: 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethanamine SMILES: C(COCCOCCOCCOCCN)N
| PubChem CID | 10198598 |
|---|---|
| CAS | 68960-97-4 |
| Molecular Weight (g/mol) | 236.312 |
| SMILES | C(COCCOCCOCCOCCN)N |
| Synonym | 3,6,9,12-Tetraoxatetradecane-1,14-diamine, Triethylene Glycol Bis(2-aminoethyl) Ether |
| IUPAC Name | 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethanamine |
| InChI Key | IFZOPNLVYZYSMQ-UHFFFAOYSA-N |
| Molecular Formula | C10H24N2O4 |
2'-Hydroxy-4',6'-dimethoxy-2-(4-methoxyphenyl)acetophenone 98.0+%, TCI America™
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CAS: 39604-68-7 Molecular Formula: C17H18O5 Molecular Weight (g/mol): 302.33 MDL Number: MFCD03934798 InChI Key: ROJOJPXRGHLGTC-UHFFFAOYSA-N Synonym: 2-Hydroxy-4,6-dimethoxyphenyl 4-Methoxybenzyl Ketone PubChem CID: 689039 IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(CC(=O)C2=C(O)C=C(OC)C=C2OC)C=C1
| PubChem CID | 689039 |
|---|---|
| CAS | 39604-68-7 |
| Molecular Weight (g/mol) | 302.33 |
| MDL Number | MFCD03934798 |
| SMILES | COC1=CC=C(CC(=O)C2=C(O)C=C(OC)C=C2OC)C=C1 |
| Synonym | 2-Hydroxy-4,6-dimethoxyphenyl 4-Methoxybenzyl Ketone |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethan-1-one |
| InChI Key | ROJOJPXRGHLGTC-UHFFFAOYSA-N |
| Molecular Formula | C17H18O5 |
Iloperidone 98.0+%, TCI America™
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CAS: 133454-47-4 Molecular Formula: C24H27FN2O4 Molecular Weight (g/mol): 426.49 MDL Number: MFCD00866688 InChI Key: XMXHEBAFVSFQEX-UHFFFAOYSA-N PubChem CID: 71360 ChEBI: CHEBI:65173 IUPAC Name: 1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one SMILES: COC1=CC(=CC=C1OCCCN1CCC(CC1)C1=NOC2=CC(F)=CC=C12)C(C)=O
| PubChem CID | 71360 |
|---|---|
| CAS | 133454-47-4 |
| Molecular Weight (g/mol) | 426.49 |
| ChEBI | CHEBI:65173 |
| MDL Number | MFCD00866688 |
| SMILES | COC1=CC(=CC=C1OCCCN1CCC(CC1)C1=NOC2=CC(F)=CC=C12)C(C)=O |
| IUPAC Name | 1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one |
| InChI Key | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
| Molecular Formula | C24H27FN2O4 |
4'-Acetamidoacetophenone 98.0+%, TCI America™
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CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C
| PubChem CID | 75937 |
|---|---|
| CAS | 2719-21-3 |
| Molecular Weight (g/mol) | 177.203 |
| MDL Number | MFCD00014965 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C |
| Synonym | 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone |
| IUPAC Name | N-(4-acetylphenyl)acetamide |
| InChI Key | WECHHDJTILFYQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
2-(3-Hydroxypropyl)benzimidazole 98.0+%, TCI America™
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CAS: 2403-66-9 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD00022688 InChI Key: CQFSGSFSOWEIGO-UHFFFAOYSA-N Synonym: 2-Benzimidazolepropanol, 3-(2-Benzimidazolyl)propanol PubChem CID: 75470 IUPAC Name: 3-(1H-benzimidazol-2-yl)propan-1-ol SMILES: C1=CC=C2C(=C1)NC(=N2)CCCO
| PubChem CID | 75470 |
|---|---|
| CAS | 2403-66-9 |
| Molecular Weight (g/mol) | 176.219 |
| MDL Number | MFCD00022688 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)CCCO |
| Synonym | 2-Benzimidazolepropanol, 3-(2-Benzimidazolyl)propanol |
| IUPAC Name | 3-(1H-benzimidazol-2-yl)propan-1-ol |
| InChI Key | CQFSGSFSOWEIGO-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
Propioin 95.0+%, TCI America™
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CAS: 4984-85-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00043572 InChI Key: SKCYVGUCBRYGTE-UHFFFAOYSA-N Synonym: 4-Hydroxy-3-hexanone PubChem CID: 95609 ChEBI: CHEBI:18351 IUPAC Name: 4-hydroxyhexan-3-one SMILES: CCC(C(=O)CC)O
| PubChem CID | 95609 |
|---|---|
| CAS | 4984-85-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:18351 |
| MDL Number | MFCD00043572 |
| SMILES | CCC(C(=O)CC)O |
| Synonym | 4-Hydroxy-3-hexanone |
| IUPAC Name | 4-hydroxyhexan-3-one |
| InChI Key | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
2,2'-Bipyridine, 1% (w/v) in Methanol, Ricca Chemical
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CAS: 67-56-1 Molecular Formula: CH4O Molecular Weight (g/mol): Mixture MDL Number: MFCD00004595 InChI Key: OKKJLVBELUTLKV-UHFFFAOYSA-N Synonym: methyl alcohol,wood alcohol,carbinol,wood spirit,wood naphtha,methylol,methyl hydroxide,pyroxylic spirit,colonial spirit,columbian spirit IUPAC Name: methanol SMILES: CO
| CAS | 67-56-1 |
|---|---|
| Molecular Weight (g/mol) | Mixture |
| MDL Number | MFCD00004595 |
| SMILES | CO |
| Synonym | methyl alcohol,wood alcohol,carbinol,wood spirit,wood naphtha,methylol,methyl hydroxide,pyroxylic spirit,colonial spirit,columbian spirit |
| IUPAC Name | methanol |
| InChI Key | OKKJLVBELUTLKV-UHFFFAOYSA-N |
| Molecular Formula | CH4O |
N,N,N',N'-Tetrapropylmalonamide 97.0+%, TCI America™
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CAS: 143356-43-8 Molecular Formula: C15H30N2O2 Molecular Weight (g/mol): 270.417 MDL Number: MFCD03964596 InChI Key: GXMHNVKZIWPXAP-UHFFFAOYSA-N PubChem CID: 2384358 IUPAC Name: N,N,N',N'-tetrapropylpropanediamide SMILES: CCCN(CCC)C(=O)CC(=O)N(CCC)CCC
| PubChem CID | 2384358 |
|---|---|
| CAS | 143356-43-8 |
| Molecular Weight (g/mol) | 270.417 |
| MDL Number | MFCD03964596 |
| SMILES | CCCN(CCC)C(=O)CC(=O)N(CCC)CCC |
| IUPAC Name | N,N,N',N'-tetrapropylpropanediamide |
| InChI Key | GXMHNVKZIWPXAP-UHFFFAOYSA-N |
| Molecular Formula | C15H30N2O2 |
2-Chloro-2-phenylacetophenone 98.0+%, TCI America™
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CAS: 447-31-4 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00000858 InChI Key: RXDYOLRABMJTEF-UHFFFAOYNA-N Synonym: desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl PubChem CID: 95343 IUPAC Name: 2-chloro-1,2-diphenylethan-1-one SMILES: ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 95343 |
|---|---|
| CAS | 447-31-4 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00000858 |
| SMILES | ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl |
| IUPAC Name | 2-chloro-1,2-diphenylethan-1-one |
| InChI Key | RXDYOLRABMJTEF-UHFFFAOYNA-N |
| Molecular Formula | C14H11ClO |