Organooxygen compounds
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2-Acetyl-5-chlorothiophene, 99%
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
| PubChem CID | 80572 |
|---|---|
| CAS | 6310-09-4 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00005444 |
| SMILES | CC(=O)C1=CC=C(S1)Cl |
| Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
| IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
| InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
2-Chloro-4,6-dimethoxy-1,3,5-triazine, 98%
CAS: 3140-73-6 Molecular Formula: C5H6ClN3O2 Molecular Weight (g/mol): 175.57 MDL Number: MFCD00075607 InChI Key: GPIQOFWTZXXOOV-UHFFFAOYSA-N Synonym: cdmt,1,3,5-triazine, 2-chloro-4,6-dimethoxy,2-chloro-4,6-dimethoxy-s-triazine,2-chloro-4,6-dimethoxy-1,3,5 triazine,pubchem20734,acmc-1cnh7,ksc567a8j,2-chloro-4,6-dimethoxy s-triazine,1,5-triazine, 2-chloro-4,6-dimethoxy PubChem CID: 18450 IUPAC Name: 2-chloro-4,6-dimethoxy-1,3,5-triazine SMILES: COC1=NC(OC)=NC(Cl)=N1
| PubChem CID | 18450 |
|---|---|
| CAS | 3140-73-6 |
| Molecular Weight (g/mol) | 175.57 |
| MDL Number | MFCD00075607 |
| SMILES | COC1=NC(OC)=NC(Cl)=N1 |
| Synonym | cdmt,1,3,5-triazine, 2-chloro-4,6-dimethoxy,2-chloro-4,6-dimethoxy-s-triazine,2-chloro-4,6-dimethoxy-1,3,5 triazine,pubchem20734,acmc-1cnh7,ksc567a8j,2-chloro-4,6-dimethoxy s-triazine,1,5-triazine, 2-chloro-4,6-dimethoxy |
| IUPAC Name | 2-chloro-4,6-dimethoxy-1,3,5-triazine |
| InChI Key | GPIQOFWTZXXOOV-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN3O2 |
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 |
|---|---|
| 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 |
Chromone-3-carboxaldehyde, 97%
CAS: 17422-74-1 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.155 MDL Number: MFCD00014667 InChI Key: FSMYWBQIMDSGQP-UHFFFAOYSA-N Synonym: chromone-3-carboxaldehyde,3-formylchromone,4-oxo-4h-chromene-3-carbaldehyde,3-chromonecarbaldehyde,4-oxo-4h-1-benzopyran-3-carboxaldehyde,3-formylchromones,4h-1-benzopyran-3-carboxaldehyde, 4-oxo,chembl86905,3-formyl-4-oxo-4h-chromene,chromone-3-carbaldehyde PubChem CID: 87112 IUPAC Name: 4-oxochromene-3-carbaldehyde SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C=O
| PubChem CID | 87112 |
|---|---|
| CAS | 17422-74-1 |
| Molecular Weight (g/mol) | 174.155 |
| MDL Number | MFCD00014667 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=O |
| Synonym | chromone-3-carboxaldehyde,3-formylchromone,4-oxo-4h-chromene-3-carbaldehyde,3-chromonecarbaldehyde,4-oxo-4h-1-benzopyran-3-carboxaldehyde,3-formylchromones,4h-1-benzopyran-3-carboxaldehyde, 4-oxo,chembl86905,3-formyl-4-oxo-4h-chromene,chromone-3-carbaldehyde |
| IUPAC Name | 4-oxochromene-3-carbaldehyde |
| InChI Key | FSMYWBQIMDSGQP-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
trans-4-Aminocyclohexanol, 98+%
CAS: 27489-62-9 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00067698 InChI Key: IMLXLGZJLAOKJN-UHFFFAOYSA-N Synonym: trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 PubChem CID: 81293 IUPAC Name: 4-aminocyclohexan-1-ol SMILES: C1CC(CCC1N)O
| PubChem CID | 81293 |
|---|---|
| CAS | 27489-62-9 |
| Molecular Weight (g/mol) | 115.176 |
| MDL Number | MFCD00067698 |
| SMILES | C1CC(CCC1N)O |
| Synonym | trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 |
| IUPAC Name | 4-aminocyclohexan-1-ol |
| InChI Key | IMLXLGZJLAOKJN-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
2-Hydroxy-6-methoxybenzaldehyde, 98+%
CAS: 700-44-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00151830 InChI Key: DZJPDDVDKXHRLF-UHFFFAOYSA-N PubChem CID: 69692 IUPAC Name: 2-hydroxy-6-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1C=O)O
| PubChem CID | 69692 |
|---|---|
| CAS | 700-44-7 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00151830 |
| SMILES | COC1=CC=CC(=C1C=O)O |
| IUPAC Name | 2-hydroxy-6-methoxybenzaldehyde |
| InChI Key | DZJPDDVDKXHRLF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3'-Benzyloxyacetophenone, 97%
CAS: 34068-01-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00026221 InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N Synonym: 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene PubChem CID: 98689 IUPAC Name: 1-(3-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
| PubChem CID | 98689 |
|---|---|
| CAS | 34068-01-4 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00026221 |
| SMILES | CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2 |
| Synonym | 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene |
| IUPAC Name | 1-(3-phenylmethoxyphenyl)ethanone |
| InChI Key | FGQMEAWGAUALJQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
7-Bromoisatin, 97%
CAS: 20780-74-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00774354 InChI Key: OCVKSIWBTJCXPV-UHFFFAOYSA-N Synonym: 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin PubChem CID: 2302353 IUPAC Name: 7-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)NC(=O)C2=O
| PubChem CID | 2302353 |
|---|---|
| CAS | 20780-74-9 |
| Molecular Weight (g/mol) | 226.029 |
| MDL Number | MFCD00774354 |
| SMILES | C1=CC2=C(C(=C1)Br)NC(=O)C2=O |
| Synonym | 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin |
| IUPAC Name | 7-bromo-1H-indole-2,3-dione |
| InChI Key | OCVKSIWBTJCXPV-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
2,2-Dimethyl-1,3-propanediol, 99%
CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO
| PubChem CID | 31344 |
|---|---|
| CAS | 126-30-7 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00004685 |
| SMILES | CC(C)(CO)CO |
| Synonym | neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol |
| IUPAC Name | 2,2-dimethylpropane-1,3-diol |
| InChI Key | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
7-Hydroxy-3,7-dimethyloctanal, MP Biomedicals
CAS: 107-75-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: WPFVBOQKRVRMJB-UHFFFAOYSA-N Synonym: hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde PubChem CID: 7888 ChEBI: CHEBI:53459 IUPAC Name: 7-hydroxy-3,7-dimethyloctanal SMILES: CC(CCCC(C)(C)O)CC=O
| PubChem CID | 7888 |
|---|---|
| CAS | 107-75-5 |
| Molecular Weight (g/mol) | 172.268 |
| ChEBI | CHEBI:53459 |
| SMILES | CC(CCCC(C)(C)O)CC=O |
| Synonym | hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde |
| IUPAC Name | 7-hydroxy-3,7-dimethyloctanal |
| InChI Key | WPFVBOQKRVRMJB-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
2,3-Dimethoxybenzaldehyde, 98+%
CAS: 86-51-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003309 InChI Key: JIVGSHFYXPRRSZ-UHFFFAOYSA-N Synonym: o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 PubChem CID: 66581 IUPAC Name: 2,3-dimethoxybenzaldehyde SMILES: COC1=CC=CC(=C1OC)C=O
| PubChem CID | 66581 |
|---|---|
| CAS | 86-51-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00003309 |
| SMILES | COC1=CC=CC(=C1OC)C=O |
| Synonym | o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 |
| IUPAC Name | 2,3-dimethoxybenzaldehyde |
| InChI Key | JIVGSHFYXPRRSZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
4-Hexen-3-one, 98%, trans-isomer >95%
CAS: 2497-21-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.15 MDL Number: MFCD00010631 InChI Key: FEWIGMWODIRUJM-HYXAFXHYSA-N Synonym: 4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one PubChem CID: 5365811 IUPAC Name: (4Z)-hex-4-en-3-one SMILES: CCC(=O)\C=C/C
| PubChem CID | 5365811 |
|---|---|
| CAS | 2497-21-4 |
| Molecular Weight (g/mol) | 98.15 |
| MDL Number | MFCD00010631 |
| SMILES | CCC(=O)\C=C/C |
| Synonym | 4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one |
| IUPAC Name | (4Z)-hex-4-en-3-one |
| InChI Key | FEWIGMWODIRUJM-HYXAFXHYSA-N |
| Molecular Formula | C6H10O |
2-Methyl-6-(trifluoromethyl)pyridine-3-carboxaldehyde, 97%, Thermo Scientific Chemicals
CAS: 545394-83-0 Molecular Formula: C8H6F3NO Molecular Weight (g/mol): 189.14 MDL Number: MFCD11035943 InChI Key: HHGVNSFXEFHMGQ-UHFFFAOYSA-N Synonym: 2-methyl-6-trifluoromethyl nicotinaldehyde,2-methyl-6-trifluoromethyl pyridine-3-carbaldehyde,2-methyl-6-trifluoromethyl pyridine-3-carboxaldehyde,2-methyl-6-trifluoromethyl-3-pyridinecarboxaldehyde,3-pyridinecarboxaldehyde, 2-methyl-6-trifluoromethyl PubChem CID: 28875322 IUPAC Name: 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde SMILES: CC1=C(C=O)C=CC(=N1)C(F)(F)F
| PubChem CID | 28875322 |
|---|---|
| CAS | 545394-83-0 |
| Molecular Weight (g/mol) | 189.14 |
| MDL Number | MFCD11035943 |
| SMILES | CC1=C(C=O)C=CC(=N1)C(F)(F)F |
| Synonym | 2-methyl-6-trifluoromethyl nicotinaldehyde,2-methyl-6-trifluoromethyl pyridine-3-carbaldehyde,2-methyl-6-trifluoromethyl pyridine-3-carboxaldehyde,2-methyl-6-trifluoromethyl-3-pyridinecarboxaldehyde,3-pyridinecarboxaldehyde, 2-methyl-6-trifluoromethyl |
| IUPAC Name | 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde |
| InChI Key | HHGVNSFXEFHMGQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO |
5-Benzyloxyindole, 94%, may contain up to ca 7% toluene
CAS: 1215-59-4 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 MDL Number: MFCD00005676 InChI Key: JCQLPDZCNSVBMS-UHFFFAOYSA-N Synonym: 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c PubChem CID: 14624 IUPAC Name: 5-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
| PubChem CID | 14624 |
|---|---|
| CAS | 1215-59-4 |
| Molecular Weight (g/mol) | 223.275 |
| MDL Number | MFCD00005676 |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3 |
| Synonym | 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c |
| IUPAC Name | 5-phenylmethoxy-1H-indole |
| InChI Key | JCQLPDZCNSVBMS-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
2-Fluoro-6-methoxypyridine, 97%, Thermo Scientific Chemicals
CAS: 116241-61-3 Molecular Formula: C6H6FNO Molecular Weight (g/mol): 127.118 MDL Number: MFCD09998161 InChI Key: PKZOFECOOLMHMG-UHFFFAOYSA-N PubChem CID: 14296367 IUPAC Name: 2-fluoro-6-methoxypyridine SMILES: COC1=NC(=CC=C1)F
| PubChem CID | 14296367 |
|---|---|
| CAS | 116241-61-3 |
| Molecular Weight (g/mol) | 127.118 |
| MDL Number | MFCD09998161 |
| SMILES | COC1=NC(=CC=C1)F |
| IUPAC Name | 2-fluoro-6-methoxypyridine |
| InChI Key | PKZOFECOOLMHMG-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO |