Organooxygen compounds
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4-Benzoylpiperidine hydrochloride, 98%
CAS: 25519-80-6 Molecular Formula: C12H15NO·ClH Molecular Weight (g/mol): 225.72 MDL Number: MFCD00066982 InChI Key: NXYKIFZJQXOUJS-UHFFFAOYSA-N Synonym: 4-benzoylpiperidine hydrochloride,phenyl piperidin-4-yl methanone hydrochloride,4-benzoylpiperidine hcl,phenyl 4-piperidyl methanone hydrochloride,4-benzoyl piperidine hydrochloride,4-benzoylpiperidine hydrogen chloride,methanone, phenyl-4-piperidinyl-, hydrochloride,phenyl 4-piperidyl ketone, chloride,4-benzoyl piperidine hcl,pubchem9881 PubChem CID: 2724437 IUPAC Name: phenyl(piperidin-4-yl)methanone;hydrochloride SMILES: C1CNCCC1C(=O)C2=CC=CC=C2.Cl
| PubChem CID | 2724437 |
|---|---|
| CAS | 25519-80-6 |
| Molecular Weight (g/mol) | 225.72 |
| MDL Number | MFCD00066982 |
| SMILES | C1CNCCC1C(=O)C2=CC=CC=C2.Cl |
| Synonym | 4-benzoylpiperidine hydrochloride,phenyl piperidin-4-yl methanone hydrochloride,4-benzoylpiperidine hcl,phenyl 4-piperidyl methanone hydrochloride,4-benzoyl piperidine hydrochloride,4-benzoylpiperidine hydrogen chloride,methanone, phenyl-4-piperidinyl-, hydrochloride,phenyl 4-piperidyl ketone, chloride,4-benzoyl piperidine hcl,pubchem9881 |
| IUPAC Name | phenyl(piperidin-4-yl)methanone;hydrochloride |
| InChI Key | NXYKIFZJQXOUJS-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO·ClH |
2',4',6'-Trihydroxyacetophenone, 98%
CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(O)C=C1O
| PubChem CID | 68073 |
|---|---|
| CAS | 480-66-0 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:64344 |
| MDL Number | MFCD00002287 |
| SMILES | CC(=O)C1=C(O)C=C(O)C=C1O |
| Synonym | 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone |
| IUPAC Name | 1-(2,4,6-trihydroxyphenyl)ethanone |
| InChI Key | XLEYFDVVXLMULC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
5-Norbornen-2-ol, mixture of endo and exo, 98+%
CAS: 13080-90-5 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.156 MDL Number: MFCD00167566 InChI Key: MKOSBHNWXFSHSW-UHFFFAOYSA-N Synonym: 5-norbornene-2-ol,bicyclo 2.2.1 hept-5-en-2-ol,5-norbornen-2-ol,5-norbornen-2-ol, exo,exo-2-norbornenol,bicyclo 2.2.1 hept-2-en-5-ol,bicyclo 2.2.1 hept-5-en-2-ol, exo,5-norbornen-2-ol exo PubChem CID: 96066 IUPAC Name: bicyclo[2.2.1]hept-2-en-5-ol SMILES: C1C2CC(C1C=C2)O
| PubChem CID | 96066 |
|---|---|
| CAS | 13080-90-5 |
| Molecular Weight (g/mol) | 110.156 |
| MDL Number | MFCD00167566 |
| SMILES | C1C2CC(C1C=C2)O |
| Synonym | 5-norbornene-2-ol,bicyclo 2.2.1 hept-5-en-2-ol,5-norbornen-2-ol,5-norbornen-2-ol, exo,exo-2-norbornenol,bicyclo 2.2.1 hept-2-en-5-ol,bicyclo 2.2.1 hept-5-en-2-ol, exo,5-norbornen-2-ol exo |
| IUPAC Name | bicyclo[2.2.1]hept-2-en-5-ol |
| InChI Key | MKOSBHNWXFSHSW-UHFFFAOYSA-N |
| Molecular Formula | C7H10O |
3-Hydroxy-4-methoxybenzaldehyde, 98%
CAS: 621-59-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003369 InChI Key: JVTZFYYHCGSXJV-UHFFFAOYSA-N Synonym: isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde PubChem CID: 12127 IUPAC Name: 3-hydroxy-4-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)C=O)O
| PubChem CID | 12127 |
|---|---|
| CAS | 621-59-0 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00003369 |
| SMILES | COC1=C(C=C(C=C1)C=O)O |
| Synonym | isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde |
| IUPAC Name | 3-hydroxy-4-methoxybenzaldehyde |
| InChI Key | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3-Methyl-3-penten-2-one, 98%
CAS: 565-62-8 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.14 InChI Key: ZAMCMCQRTZKGDX-SNAWJCMRSA-N Synonym: 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene PubChem CID: 5364579 IUPAC Name: (E)-3-methylpent-3-en-2-one SMILES: CC=C(C)C(=O)C
| PubChem CID | 5364579 |
|---|---|
| CAS | 565-62-8 |
| Molecular Weight (g/mol) | 98.14 |
| SMILES | CC=C(C)C(=O)C |
| Synonym | 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene |
| IUPAC Name | (E)-3-methylpent-3-en-2-one |
| InChI Key | ZAMCMCQRTZKGDX-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
Fluoroacetone, 97%
CAS: 430-51-3 Molecular Formula: C3H5FO Molecular Weight (g/mol): 76.06 MDL Number: MFCD00000451 InChI Key: MSWVMWGCNZQPIA-UHFFFAOYSA-N Synonym: fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 PubChem CID: 9889 IUPAC Name: 1-fluoropropan-2-one SMILES: CC(=O)CF
| PubChem CID | 9889 |
|---|---|
| CAS | 430-51-3 |
| Molecular Weight (g/mol) | 76.06 |
| MDL Number | MFCD00000451 |
| SMILES | CC(=O)CF |
| Synonym | fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 |
| IUPAC Name | 1-fluoropropan-2-one |
| InChI Key | MSWVMWGCNZQPIA-UHFFFAOYSA-N |
| Molecular Formula | C3H5FO |
2',5'-Dichloroacetophenone, 96%, Thermo Scientific™
CAS: 2476-37-1 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000607 InChI Key: CYNFEPKQDJHIMV-UHFFFAOYSA-N Synonym: 2',5'-dichloroacetophenone,1-2,5-dichlorophenyl ethanone,2,5-dichloroacetophenone,ethanone, 1-2,5-dichlorophenyl,acetophenone, 2',5'-dichloro,1-2,5-dichlorophenyl ethan-1-one,1-acetyl-2,5-dichlorobenzene,2,5-dichloracetophenon,pubchem10586,acmc-1cmfm PubChem CID: 75587 IUPAC Name: 1-(2,5-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Cl)Cl
| PubChem CID | 75587 |
|---|---|
| CAS | 2476-37-1 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00000607 |
| SMILES | CC(=O)C1=C(C=CC(=C1)Cl)Cl |
| Synonym | 2',5'-dichloroacetophenone,1-2,5-dichlorophenyl ethanone,2,5-dichloroacetophenone,ethanone, 1-2,5-dichlorophenyl,acetophenone, 2',5'-dichloro,1-2,5-dichlorophenyl ethan-1-one,1-acetyl-2,5-dichlorobenzene,2,5-dichloracetophenon,pubchem10586,acmc-1cmfm |
| IUPAC Name | 1-(2,5-dichlorophenyl)ethanone |
| InChI Key | CYNFEPKQDJHIMV-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
trans-2-Hexenal, 96%
CAS: 6728-26-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00007008 InChI Key: MBDOYVRWFFCFHM-SNAWJCMRSA-N Synonym: trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e PubChem CID: 5281168 ChEBI: CHEBI:28913 IUPAC Name: (E)-hex-2-enal SMILES: CCCC=CC=O
| PubChem CID | 5281168 |
|---|---|
| CAS | 6728-26-3 |
| Molecular Weight (g/mol) | 98.145 |
| ChEBI | CHEBI:28913 |
| MDL Number | MFCD00007008 |
| SMILES | CCCC=CC=O |
| Synonym | trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e |
| IUPAC Name | (E)-hex-2-enal |
| InChI Key | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
1-[4-(3-Bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™
CAS: 937796-01-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD09879973 InChI Key: AMADTVLVNSCDKW-UHFFFAOYSA-N Synonym: 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone PubChem CID: 24229756 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br
| PubChem CID | 24229756 |
|---|---|
| CAS | 937796-01-5 |
| Molecular Weight (g/mol) | 281.167 |
| MDL Number | MFCD09879973 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br |
| Synonym | 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone |
| IUPAC Name | 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone |
| InChI Key | AMADTVLVNSCDKW-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrOS |
(6-Thien-2-ylpyrid-3-yl)methanol, 95%, Thermo Scientific™
CAS: 198078-57-8 Molecular Formula: C10H9NOS Molecular Weight (g/mol): 191.248 MDL Number: MFCD06410427 InChI Key: OLHQRPWNQRBQMA-UHFFFAOYSA-N Synonym: 6-thien-2-ylpyrid-3-yl methanol,6-thiophen-2-yl pyridin-3-yl methanol,3-pyridinemethanol,6-2-thienyl,2-thien-2-yl-5-hydroxymethylpyridine,6-2-thienyl-3-pyridyl methan-1-ol PubChem CID: 15411145 IUPAC Name: (6-thiophen-2-ylpyridin-3-yl)methanol SMILES: C1=CSC(=C1)C2=NC=C(C=C2)CO
| PubChem CID | 15411145 |
|---|---|
| CAS | 198078-57-8 |
| Molecular Weight (g/mol) | 191.248 |
| MDL Number | MFCD06410427 |
| SMILES | C1=CSC(=C1)C2=NC=C(C=C2)CO |
| Synonym | 6-thien-2-ylpyrid-3-yl methanol,6-thiophen-2-yl pyridin-3-yl methanol,3-pyridinemethanol,6-2-thienyl,2-thien-2-yl-5-hydroxymethylpyridine,6-2-thienyl-3-pyridyl methan-1-ol |
| IUPAC Name | (6-thiophen-2-ylpyridin-3-yl)methanol |
| InChI Key | OLHQRPWNQRBQMA-UHFFFAOYSA-N |
| Molecular Formula | C10H9NOS |
2',4',6'-Trimethylacetophenone, 97+%
CAS: 1667-01-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00008735 InChI Key: XWCIICLTKWRWCI-UHFFFAOYSA-N Synonym: 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone PubChem CID: 15461 IUPAC Name: 1-(2,4,6-trimethylphenyl)ethanone SMILES: CC(=O)C1=C(C)C=C(C)C=C1C
| PubChem CID | 15461 |
|---|---|
| CAS | 1667-01-2 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00008735 |
| SMILES | CC(=O)C1=C(C)C=C(C)C=C1C |
| Synonym | 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethanone |
| InChI Key | XWCIICLTKWRWCI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
(R)-(-)-1,2-Propanediol, 98%
CAS: 4254-14-2 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00066248 InChI Key: DNIAPMSPPWPWGF-GSVOUGTGSA-N Synonym: r---1,2-propanediol,r-propane-1,2-diol,2r-propane-1,2-diol,r-1,2-propanediol,r-propylene glycol,2r-1,2-propanediol,r---1,2-dihydroxypropane,unii-602hn5l69h PubChem CID: 259994 ChEBI: CHEBI:28972 IUPAC Name: (2R)-propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 259994 |
|---|---|
| CAS | 4254-14-2 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:28972 |
| MDL Number | MFCD00066248 |
| SMILES | CC(CO)O |
| Synonym | r---1,2-propanediol,r-propane-1,2-diol,2r-propane-1,2-diol,r-1,2-propanediol,r-propylene glycol,2r-1,2-propanediol,r---1,2-dihydroxypropane,unii-602hn5l69h |
| IUPAC Name | (2R)-propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-GSVOUGTGSA-N |
| Molecular Formula | C3H8O2 |
2-Benzyloxybenzaldehyde, 98%
CAS: 5896-17-3 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00016583 InChI Key: PBEJTRAJWCNHRS-UHFFFAOYSA-N Synonym: 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde PubChem CID: 344784 IUPAC Name: 2-phenylmethoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OCC1=CC=CC=C1
| PubChem CID | 344784 |
|---|---|
| CAS | 5896-17-3 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00016583 |
| SMILES | O=CC1=CC=CC=C1OCC1=CC=CC=C1 |
| Synonym | 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde |
| IUPAC Name | 2-phenylmethoxybenzaldehyde |
| InChI Key | PBEJTRAJWCNHRS-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Nonanal, 97%
CAS: 124-19-6 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00007030 InChI Key: GYHFUZHODSMOHU-UHFFFAOYSA-N Synonym: pelargonaldehyde,1-nonanal,nonanaldehyde,nonyl aldehyde,n-nonaldehyde,nonylic aldehyde,nonylaldehyde,nonaldehyde,n-nonanal,1-nonaldehyde PubChem CID: 31289 ChEBI: CHEBI:84268 IUPAC Name: nonanal SMILES: CCCCCCCCC=O
| PubChem CID | 31289 |
|---|---|
| CAS | 124-19-6 |
| Molecular Weight (g/mol) | 142.242 |
| ChEBI | CHEBI:84268 |
| MDL Number | MFCD00007030 |
| SMILES | CCCCCCCCC=O |
| Synonym | pelargonaldehyde,1-nonanal,nonanaldehyde,nonyl aldehyde,n-nonaldehyde,nonylic aldehyde,nonylaldehyde,nonaldehyde,n-nonanal,1-nonaldehyde |
| IUPAC Name | nonanal |
| InChI Key | GYHFUZHODSMOHU-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
3-Isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione, 97%
CAS: 129034-70-4 Molecular Formula: C19H34O3Sn Molecular Weight (g/mol): 429.188 MDL Number: MFCD01319011 InChI Key: AMVLEBHYELFWJT-UHFFFAOYSA-N Synonym: 3-isopropoxy-4-tributylstannyl-1,2-cyclobutenedione,3-isopropoxy-4-tributylstannyl cyclobut-3-ene-1,2-dione,3-cyclobutene-1,2-dione, 3-1-methylethoxy-4-tributylstannyl,acmc-20dn4e,3-isopropoxy-4-tributylstannyl-cyclobut-3-ene-1,2-dione,3-isopropoxy-4-tributylstannylcyclobut-3-ene-1,2-dione,3,4-dioxo-2-isopropoxycyclobut-1-en-1-yl tributylstannane,3-isopropoxy-4-tri-n-butyl-stannyl-3-cyclobutene-1,2-dione,3-isopropoxy-4-tri-n-butylstannyl-3-cyclobutene-1,2-dione PubChem CID: 2736683 IUPAC Name: 3-propan-2-yloxy-4-tributylstannylcyclobut-3-ene-1,2-dione SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(C(=O)C1=O)OC(C)C
| PubChem CID | 2736683 |
|---|---|
| CAS | 129034-70-4 |
| Molecular Weight (g/mol) | 429.188 |
| MDL Number | MFCD01319011 |
| SMILES | CCCC[Sn](CCCC)(CCCC)C1=C(C(=O)C1=O)OC(C)C |
| Synonym | 3-isopropoxy-4-tributylstannyl-1,2-cyclobutenedione,3-isopropoxy-4-tributylstannyl cyclobut-3-ene-1,2-dione,3-cyclobutene-1,2-dione, 3-1-methylethoxy-4-tributylstannyl,acmc-20dn4e,3-isopropoxy-4-tributylstannyl-cyclobut-3-ene-1,2-dione,3-isopropoxy-4-tributylstannylcyclobut-3-ene-1,2-dione,3,4-dioxo-2-isopropoxycyclobut-1-en-1-yl tributylstannane,3-isopropoxy-4-tri-n-butyl-stannyl-3-cyclobutene-1,2-dione,3-isopropoxy-4-tri-n-butylstannyl-3-cyclobutene-1,2-dione |
| IUPAC Name | 3-propan-2-yloxy-4-tributylstannylcyclobut-3-ene-1,2-dione |
| InChI Key | AMVLEBHYELFWJT-UHFFFAOYSA-N |
| Molecular Formula | C19H34O3Sn |