Organooxygen compounds
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3-Pyridyloxyacetic acid, 98%
CAS: 86649-57-2 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD04039772 InChI Key: MBEPWLCDXKKANL-UHFFFAOYSA-N Synonym: pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid PubChem CID: 3159630 IUPAC Name: 2-pyridin-3-yloxyacetic acid SMILES: OC(=O)COC1=CN=CC=C1
| PubChem CID | 3159630 |
|---|---|
| CAS | 86649-57-2 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD04039772 |
| SMILES | OC(=O)COC1=CN=CC=C1 |
| Synonym | pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid |
| IUPAC Name | 2-pyridin-3-yloxyacetic acid |
| InChI Key | MBEPWLCDXKKANL-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Ethyl thiophene-2-glyoxylate, 97%
CAS: 4075-58-5 Molecular Formula: C8H8O3S Molecular Weight (g/mol): 184.209 MDL Number: MFCD00015538 InChI Key: GHOVLEQTRNXASK-UHFFFAOYSA-N Synonym: ethyl thiophene-2-glyoxylate,ethyl 2-oxo-2-thiophen-2-yl acetate,ethyl 2-oxo-2-2-thienyl acetate,ethyl alpha-oxothiophen-2-acetate,ethyl 2-thienylglyoxylate,thiophen-2-coco-o-ethyl,2-thiophene glyoxylic acid ethyl ester,oxo-thiophen-2-yl-acetic acid ethyl ester,2-thiophene glyoxalicacid ethyl ester,ethyl oxo 2-thienyl acetate PubChem CID: 77693 IUPAC Name: ethyl 2-oxo-2-thiophen-2-ylacetate SMILES: CCOC(=O)C(=O)C1=CC=CS1
| PubChem CID | 77693 |
|---|---|
| CAS | 4075-58-5 |
| Molecular Weight (g/mol) | 184.209 |
| MDL Number | MFCD00015538 |
| SMILES | CCOC(=O)C(=O)C1=CC=CS1 |
| Synonym | ethyl thiophene-2-glyoxylate,ethyl 2-oxo-2-thiophen-2-yl acetate,ethyl 2-oxo-2-2-thienyl acetate,ethyl alpha-oxothiophen-2-acetate,ethyl 2-thienylglyoxylate,thiophen-2-coco-o-ethyl,2-thiophene glyoxylic acid ethyl ester,oxo-thiophen-2-yl-acetic acid ethyl ester,2-thiophene glyoxalicacid ethyl ester,ethyl oxo 2-thienyl acetate |
| IUPAC Name | ethyl 2-oxo-2-thiophen-2-ylacetate |
| InChI Key | GHOVLEQTRNXASK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3S |
(S)-1-Phenyl-1,3-propanediol, 98%
CAS: 96854-34-1 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00221510 InChI Key: RRVFYOSEKOTFOG-VIFPVBQESA-N Synonym: 1s-1-phenylpropane-1,3-diol,s-1-phenyl-1,3-propanediol,s-1-phenylpropane-1,3-diol,1s-phenyl-1,3-propanediol,s-1-phenyl-propane-1,3-diol,s, ?-1-phenyl-1,3-propanediol,1,3-propanediol,1-phenyl-, 1s,1,3-propanediol, 1-phenyl-, 1s,s---1-phenyl-1,3-propanediol, puriss sum of enantiomers, gc PubChem CID: 6950537 IUPAC Name: (1S)-1-phenylpropane-1,3-diol SMILES: C1=CC=C(C=C1)C(CCO)O
| PubChem CID | 6950537 |
|---|---|
| CAS | 96854-34-1 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00221510 |
| SMILES | C1=CC=C(C=C1)C(CCO)O |
| Synonym | 1s-1-phenylpropane-1,3-diol,s-1-phenyl-1,3-propanediol,s-1-phenylpropane-1,3-diol,1s-phenyl-1,3-propanediol,s-1-phenyl-propane-1,3-diol,s, ?-1-phenyl-1,3-propanediol,1,3-propanediol,1-phenyl-, 1s,1,3-propanediol, 1-phenyl-, 1s,s---1-phenyl-1,3-propanediol, puriss sum of enantiomers, gc |
| IUPAC Name | (1S)-1-phenylpropane-1,3-diol |
| InChI Key | RRVFYOSEKOTFOG-VIFPVBQESA-N |
| Molecular Formula | C9H12O2 |
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxaldehyde, 95%
CAS: 67869-90-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD01893356 InChI Key: LCSVYSVGXQQHSI-UHFFFAOYSA-N PubChem CID: 2776388 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde SMILES: C1COC2=C(C=C(C=C2)C=O)OC1
| PubChem CID | 2776388 |
|---|---|
| CAS | 67869-90-3 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD01893356 |
| SMILES | C1COC2=C(C=C(C=C2)C=O)OC1 |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde |
| InChI Key | LCSVYSVGXQQHSI-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
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 |
Ergosterol, 96%, may cont. up to ca 6% water
CAS: 57-87-4 Molecular Formula: C28H44O MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N PubChem CID: 444679 ChEBI: CHEBI:16933
| PubChem CID | 444679 |
|---|---|
| CAS | 57-87-4 |
| ChEBI | CHEBI:16933 |
| MDL Number | MFCD00003623 |
| InChI Key | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Molecular Formula | C28H44O |
5-Methoxyindole, 99%
CAS: 1006-94-6 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005674 InChI Key: DWAQDRSOVMLGRQ-UHFFFAOYSA-N Synonym: 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- PubChem CID: 13872 IUPAC Name: 5-methoxy-1H-indole SMILES: COC1=CC2=C(C=C1)NC=C2
| PubChem CID | 13872 |
|---|---|
| CAS | 1006-94-6 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00005674 |
| SMILES | COC1=CC2=C(C=C1)NC=C2 |
| Synonym | 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- |
| IUPAC Name | 5-methoxy-1H-indole |
| InChI Key | DWAQDRSOVMLGRQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
7-Fluoroisatin, 97%
CAS: 317-20-4 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 MDL Number: MFCD01569508 InChI Key: HGBGVEOXPHGSOS-UHFFFAOYSA-N Synonym: 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion PubChem CID: 586418 IUPAC Name: 7-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)F)NC(=O)C2=O
| PubChem CID | 586418 |
|---|---|
| CAS | 317-20-4 |
| Molecular Weight (g/mol) | 165.123 |
| MDL Number | MFCD01569508 |
| SMILES | C1=CC2=C(C(=C1)F)NC(=O)C2=O |
| Synonym | 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion |
| IUPAC Name | 7-fluoro-1H-indole-2,3-dione |
| InChI Key | HGBGVEOXPHGSOS-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO2 |
Ethyl glycolate, 95%
CAS: 623-50-7 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00021970 InChI Key: ZANNOFHADGWOLI-UHFFFAOYSA-N Synonym: ethyl glycolate,ethyl hydroxyacetate,acetic acid, hydroxy-, ethyl ester,glycolic acid, ethyl ester,ethyl glycollate,hydroxyacetic acid ethyl ester,glycolic acid ethyl ester,unii-c306e91wfk,acetic acid, 2-hydroxy-, ethyl ester,2-hydroxyacetic acid ethyl ester PubChem CID: 12184 IUPAC Name: ethyl 2-hydroxyacetate SMILES: CCOC(=O)CO
| PubChem CID | 12184 |
|---|---|
| CAS | 623-50-7 |
| Molecular Weight (g/mol) | 104.11 |
| MDL Number | MFCD00021970 |
| SMILES | CCOC(=O)CO |
| Synonym | ethyl glycolate,ethyl hydroxyacetate,acetic acid, hydroxy-, ethyl ester,glycolic acid, ethyl ester,ethyl glycollate,hydroxyacetic acid ethyl ester,glycolic acid ethyl ester,unii-c306e91wfk,acetic acid, 2-hydroxy-, ethyl ester,2-hydroxyacetic acid ethyl ester |
| IUPAC Name | ethyl 2-hydroxyacetate |
| InChI Key | ZANNOFHADGWOLI-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
3-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-propanol, 97%
CAS: 51268-87-2 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.21 MDL Number: MFCD01631673 InChI Key: BSLDYXOPGSOQGZ-ZETCQYMHSA-N Synonym: 3-4s-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,1,3-dioxolane-4-propanol, 2,2-dimethyl-, s,s-3-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,3-4s-2,2-dimethyl-1,3-dioxolan-4-yl-propanol,1,3-dioxolane-4-propanol,2,2-dimethyl-, 4s,3-2,2-dimethyl-1,3-dioxolane-4 s-yl-propanol,3-2,2-dimethyl-1,3-dioxolane-4beta-yl-1-propanol PubChem CID: 2733890 IUPAC Name: 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol SMILES: CC1(OCC(O1)CCCO)C
| PubChem CID | 2733890 |
|---|---|
| CAS | 51268-87-2 |
| Molecular Weight (g/mol) | 160.21 |
| MDL Number | MFCD01631673 |
| SMILES | CC1(OCC(O1)CCCO)C |
| Synonym | 3-4s-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,1,3-dioxolane-4-propanol, 2,2-dimethyl-, s,s-3-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,3-4s-2,2-dimethyl-1,3-dioxolan-4-yl-propanol,1,3-dioxolane-4-propanol,2,2-dimethyl-, 4s,3-2,2-dimethyl-1,3-dioxolane-4 s-yl-propanol,3-2,2-dimethyl-1,3-dioxolane-4beta-yl-1-propanol |
| IUPAC Name | 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol |
| InChI Key | BSLDYXOPGSOQGZ-ZETCQYMHSA-N |
| Molecular Formula | C8H16O3 |
5-Bromo-2-methoxypyridine, 97%
CAS: 13472-85-0 MDL Number: MFCD01318952 InChI Key: XADICJHFELMBGX-UHFFFAOYSA-N Synonym: 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 PubChem CID: 2734895 IUPAC Name: 5-bromo-2-methoxypyridine SMILES: COC1=NC=C(C=C1)Br
| PubChem CID | 2734895 |
|---|---|
| CAS | 13472-85-0 |
| MDL Number | MFCD01318952 |
| SMILES | COC1=NC=C(C=C1)Br |
| Synonym | 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 |
| IUPAC Name | 5-bromo-2-methoxypyridine |
| InChI Key | XADICJHFELMBGX-UHFFFAOYSA-N |
2-Bromo-2-phenylacetophenone, 97%
CAS: 1484-50-0 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.13 MDL Number: MFCD00000136 InChI Key: ZFFBIQMNKOJDJE-UHFFFAOYSA-N PubChem CID: 102630 IUPAC Name: 2-bromo-1,2-diphenylethanone SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br
| PubChem CID | 102630 |
|---|---|
| CAS | 1484-50-0 |
| Molecular Weight (g/mol) | 275.13 |
| MDL Number | MFCD00000136 |
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br |
| IUPAC Name | 2-bromo-1,2-diphenylethanone |
| InChI Key | ZFFBIQMNKOJDJE-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
(+/-)-2-Methyl-1-butanol, 98%
CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
trans-4-Aminocyclohexanol, 97%
CAS: 27489-62-9 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.17 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) | 115.17 |
| 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-Chloro-4-hydroxybenzaldehyde, 97%
CAS: 56962-11-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 InChI Key: ZMOMCILMBYEGLD-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde PubChem CID: 185363 IUPAC Name: 2-chloro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1O)Cl)C=O
| PubChem CID | 185363 |
|---|---|
| CAS | 56962-11-9 |
| Molecular Weight (g/mol) | 156.57 |
| SMILES | C1=CC(=C(C=C1O)Cl)C=O |
| Synonym | benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde |
| IUPAC Name | 2-chloro-4-hydroxybenzaldehyde |
| InChI Key | ZMOMCILMBYEGLD-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |