Organooxygen compounds
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2,4,6-Trihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 487-70-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003329 InChI Key: BTQAJGSMXCDDAJ-UHFFFAOYSA-N Synonym: phloroglucinaldehyde,benzaldehyde, 2,4,6-trihydroxy,formylphloroglucinal,phloroglucinolcarboxaldehyde,formylphloroglucinol,phloroglucinol aldehyde,2,4,6-trihydroxy-benzaldehyde,2,4,6-trihydroxybenzaldehyd,pubchem21790,acmc-1ao01 PubChem CID: 68099 IUPAC Name: 2,4,6-trihydroxybenzaldehyde SMILES: OC1=CC(O)=C(C=O)C(O)=C1
| PubChem CID | 68099 |
|---|---|
| CAS | 487-70-7 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00003329 |
| SMILES | OC1=CC(O)=C(C=O)C(O)=C1 |
| Synonym | phloroglucinaldehyde,benzaldehyde, 2,4,6-trihydroxy,formylphloroglucinal,phloroglucinolcarboxaldehyde,formylphloroglucinol,phloroglucinol aldehyde,2,4,6-trihydroxy-benzaldehyde,2,4,6-trihydroxybenzaldehyd,pubchem21790,acmc-1ao01 |
| IUPAC Name | 2,4,6-trihydroxybenzaldehyde |
| InChI Key | BTQAJGSMXCDDAJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
trans-2-Octenal 96.0+%, TCI America™
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CAS: 2548-87-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00007011 InChI Key: LVBXEMGDVWVTGY-VOTSOKGWSA-N Synonym: trans-2-octenal,e-oct-2-enal,e-2-octenal,2-octenal,trans-2-octen-1-al,e-2-octen-1-al,2-octen-1-al,2-octenel,2-octenal, e,2-octenal, 2e PubChem CID: 5283324 ChEBI: CHEBI:61748 IUPAC Name: (E)-oct-2-enal SMILES: CCCCCC=CC=O
| PubChem CID | 5283324 |
|---|---|
| CAS | 2548-87-0 |
| Molecular Weight (g/mol) | 126.199 |
| ChEBI | CHEBI:61748 |
| MDL Number | MFCD00007011 |
| SMILES | CCCCCC=CC=O |
| Synonym | trans-2-octenal,e-oct-2-enal,e-2-octenal,2-octenal,trans-2-octen-1-al,e-2-octen-1-al,2-octen-1-al,2-octenel,2-octenal, e,2-octenal, 2e |
| IUPAC Name | (E)-oct-2-enal |
| InChI Key | LVBXEMGDVWVTGY-VOTSOKGWSA-N |
| Molecular Formula | C8H14O |
N-Benzylacetoacetamide 98.0+%, TCI America™
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CAS: 882-36-0 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00026260 InChI Key: KOHNUEXAOQRRPI-UHFFFAOYSA-N Synonym: N-Acetoacetylbenzylamine PubChem CID: 70159 IUPAC Name: N-benzyl-3-oxobutanamide SMILES: CC(=O)CC(=O)NCC1=CC=CC=C1
| PubChem CID | 70159 |
|---|---|
| CAS | 882-36-0 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD00026260 |
| SMILES | CC(=O)CC(=O)NCC1=CC=CC=C1 |
| Synonym | N-Acetoacetylbenzylamine |
| IUPAC Name | N-benzyl-3-oxobutanamide |
| InChI Key | KOHNUEXAOQRRPI-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
2-Bromo-4,5-dimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 5392-10-9 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD00003301 InChI Key: UQQROBHFUDBOOK-UHFFFAOYSA-N Synonym: 6-bromoveratraldehyde,6-bromo-3,4-dimethoxybenzaldehyde,benzaldehyde, 2-bromo-4,5-dimethoxy,6-bromo veratraldehyde,2-bromo-4,5-dimethoxybenzalehyde,4,5-dimethoxy-2-bromobenzaldehyde,6-bromoveratral,pubchem8209,veratraldehyde, 6-bromo,acmc-2097hh PubChem CID: 79351 IUPAC Name: 2-bromo-4,5-dimethoxybenzaldehyde SMILES: COC1=C(C=C(C(=C1)C=O)Br)OC
| PubChem CID | 79351 |
|---|---|
| CAS | 5392-10-9 |
| Molecular Weight (g/mol) | 245.07 |
| MDL Number | MFCD00003301 |
| SMILES | COC1=C(C=C(C(=C1)C=O)Br)OC |
| Synonym | 6-bromoveratraldehyde,6-bromo-3,4-dimethoxybenzaldehyde,benzaldehyde, 2-bromo-4,5-dimethoxy,6-bromo veratraldehyde,2-bromo-4,5-dimethoxybenzalehyde,4,5-dimethoxy-2-bromobenzaldehyde,6-bromoveratral,pubchem8209,veratraldehyde, 6-bromo,acmc-2097hh |
| IUPAC Name | 2-bromo-4,5-dimethoxybenzaldehyde |
| InChI Key | UQQROBHFUDBOOK-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO3 |
3'-Bromo-4'-fluoroacetophenone 96.0+%, TCI America™
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CAS: 1007-15-4 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00042466 InChI Key: SZDWTGAORQQQGY-UHFFFAOYSA-N Synonym: 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t PubChem CID: 70508 IUPAC Name: 1-(3-bromo-4-fluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 70508 |
|---|---|
| CAS | 1007-15-4 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00042466 |
| SMILES | CC(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t |
| IUPAC Name | 1-(3-bromo-4-fluorophenyl)ethan-1-one |
| InChI Key | SZDWTGAORQQQGY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
D-Sorbose 98.0+%, TCI America™
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CAS: 3615-56-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00151095 InChI Key: LKDRXBCSQODPBY-IANNHFEVSA-N Synonym: d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose PubChem CID: 107428 ChEBI: CHEBI:13022 IUPAC Name: (3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol SMILES: OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O
| PubChem CID | 107428 |
|---|---|
| CAS | 3615-56-3 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:13022 |
| MDL Number | MFCD00151095 |
| SMILES | OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O |
| Synonym | d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose |
| IUPAC Name | (3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| InChI Key | LKDRXBCSQODPBY-IANNHFEVSA-N |
| Molecular Formula | C6H12O6 |
3-Chloro-2-methoxypyridine 97.0+%, TCI America™
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CAS: 13472-84-9 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD03095227 InChI Key: MSICGKUDCSUMJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methoxy-pyridine,pyridine, 3-chloro-2-methoxy,2-methoxy-3-chloropyridine,pubchem1189,acmc-1c0pw,ksc494g7h,3-chloranyl-2-methoxy-pyridine PubChem CID: 13295749 IUPAC Name: 3-chloro-2-methoxypyridine SMILES: COC1=C(C=CC=N1)Cl
| PubChem CID | 13295749 |
|---|---|
| CAS | 13472-84-9 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD03095227 |
| SMILES | COC1=C(C=CC=N1)Cl |
| Synonym | 3-chloro-2-methoxy-pyridine,pyridine, 3-chloro-2-methoxy,2-methoxy-3-chloropyridine,pubchem1189,acmc-1c0pw,ksc494g7h,3-chloranyl-2-methoxy-pyridine |
| IUPAC Name | 3-chloro-2-methoxypyridine |
| InChI Key | MSICGKUDCSUMJZ-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
6-Fluoro-1-indanone 98.0+%, TCI America™
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CAS: 1481-32-9 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD01318147 InChI Key: LVUUCFIQQHEFEJ-UHFFFAOYSA-N Synonym: 6-fluoro-1-indanone,6-fluoro-2,3-dihydro-1h-inden-1-one,6-fluoro-indan-1-one,6-fluoroindan-1-one,6-fluroro-1-indanone,1h-inden-1-one, 6-fluoro-2,3-dihydro,6-fluoroindanone,6fluoro-1-indanone,pubchem8856,acmc-1bwfy PubChem CID: 1519464 IUPAC Name: 6-fluoro-2,3-dihydro-1H-inden-1-one SMILES: FC1=CC2=C(CCC2=O)C=C1
| PubChem CID | 1519464 |
|---|---|
| CAS | 1481-32-9 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD01318147 |
| SMILES | FC1=CC2=C(CCC2=O)C=C1 |
| Synonym | 6-fluoro-1-indanone,6-fluoro-2,3-dihydro-1h-inden-1-one,6-fluoro-indan-1-one,6-fluoroindan-1-one,6-fluroro-1-indanone,1h-inden-1-one, 6-fluoro-2,3-dihydro,6-fluoroindanone,6fluoro-1-indanone,pubchem8856,acmc-1bwfy |
| IUPAC Name | 6-fluoro-2,3-dihydro-1H-inden-1-one |
| InChI Key | LVUUCFIQQHEFEJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
Monomethyl Potassium Malonate 98.0+%, TCI America™
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CAS: 38330-80-2 Molecular Formula: C4H5KO4 Molecular Weight (g/mol): 156.178 MDL Number: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonym: potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium;3-methoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]
| PubChem CID | 2724687 |
|---|---|
| CAS | 38330-80-2 |
| Molecular Weight (g/mol) | 156.178 |
| MDL Number | MFCD00014021 |
| SMILES | COC(=O)CC(=O)[O-].[K+] |
| Synonym | potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d |
| IUPAC Name | potassium;3-methoxy-3-oxopropanoate |
| InChI Key | WWTULTKUWBKVGV-UHFFFAOYSA-M |
| Molecular Formula | C4H5KO4 |
trans-2-Hexen-1-al Diethyl Acetal 95.0+%, TCI America™
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CAS: 67746-30-9 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00009472 InChI Key: WMQKYHTZGYIHHD-CMDGGOBGSA-N Synonym: 1,1-Diethoxy-trans-2-hexene, Leaf Aldehyde Diethyl Acetal PubChem CID: 5365137 IUPAC Name: (E)-1,1-diethoxyhex-2-ene SMILES: CCCC=CC(OCC)OCC
| PubChem CID | 5365137 |
|---|---|
| CAS | 67746-30-9 |
| Molecular Weight (g/mol) | 172.268 |
| MDL Number | MFCD00009472 |
| SMILES | CCCC=CC(OCC)OCC |
| Synonym | 1,1-Diethoxy-trans-2-hexene, Leaf Aldehyde Diethyl Acetal |
| IUPAC Name | (E)-1,1-diethoxyhex-2-ene |
| InChI Key | WMQKYHTZGYIHHD-CMDGGOBGSA-N |
| Molecular Formula | C10H20O2 |
Bis(2,4-pentanedionato)titanium(IV) Oxide, TCI America™
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CAS: 14024-64-7 Molecular Formula: C10H16O5Ti Molecular Weight (g/mol): 264.1 MDL Number: MFCD00013505 InChI Key: ADVORQMAWLEPOI-UHFFFAOYSA-N Synonym: bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide PubChem CID: 74765597 IUPAC Name: 4-hydroxypent-3-en-2-one;oxotitanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti]
| PubChem CID | 74765597 |
|---|---|
| CAS | 14024-64-7 |
| Molecular Weight (g/mol) | 264.1 |
| MDL Number | MFCD00013505 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti] |
| Synonym | bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide |
| IUPAC Name | 4-hydroxypent-3-en-2-one;oxotitanium |
| InChI Key | ADVORQMAWLEPOI-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5Ti |
1-Methylimidazole-2-carboxaldehyde 98.0+%, TCI America™
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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 |
Ethylene Glycol Bis(propionitrile) Ether 97.0+%, TCI America™
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CAS: 3386-87-6 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00019871 InChI Key: VTHRQKSLPFJQHN-UHFFFAOYSA-N PubChem CID: 76921 IUPAC Name: 3-[2-(2-cyanoethoxy)ethoxy]propanenitrile SMILES: C(COCCOCCC#N)C#N
| PubChem CID | 76921 |
|---|---|
| CAS | 3386-87-6 |
| Molecular Weight (g/mol) | 168.196 |
| MDL Number | MFCD00019871 |
| SMILES | C(COCCOCCC#N)C#N |
| IUPAC Name | 3-[2-(2-cyanoethoxy)ethoxy]propanenitrile |
| InChI Key | VTHRQKSLPFJQHN-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O2 |
5-Bromo-1-methylisatin 98.0+%, TCI America™
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CAS: 2058-72-2 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.06 MDL Number: MFCD00456313 InChI Key: GEEDYJPPYNIZLX-UHFFFAOYSA-N Synonym: 5-Bromo-1-methylindole-2,3-dione, 5-Bromo-1-methyl-2,3-indolinedione PubChem CID: 16357 IUPAC Name: 5-bromo-1-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC(Br)=CC=C12
| PubChem CID | 16357 |
|---|---|
| CAS | 2058-72-2 |
| Molecular Weight (g/mol) | 240.06 |
| MDL Number | MFCD00456313 |
| SMILES | CN1C(=O)C(=O)C2=CC(Br)=CC=C12 |
| Synonym | 5-Bromo-1-methylindole-2,3-dione, 5-Bromo-1-methyl-2,3-indolinedione |
| IUPAC Name | 5-bromo-1-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | GEEDYJPPYNIZLX-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO2 |
4'-Hydroxyhexanophenone 99.0+%, TCI America™
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CAS: 2589-72-2 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00671540 InChI Key: YDGNMJZDWLQUTE-UHFFFAOYSA-N PubChem CID: 345110 IUPAC Name: 1-(4-hydroxyphenyl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=C(C=C1)O
| PubChem CID | 345110 |
|---|---|
| CAS | 2589-72-2 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00671540 |
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)O |
| IUPAC Name | 1-(4-hydroxyphenyl)hexan-1-one |
| InChI Key | YDGNMJZDWLQUTE-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |