Organooxygen compounds
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2-Acetylnaphtho[2,3-b]furan-4,9-dione 98.0+%, TCI America™
CAS: 83280-65-3 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.21 MDL Number: MFCD28155270 InChI Key: DPHUWDIXHNQOSY-UHFFFAOYSA-N Synonym: Napabucasin PubChem CID: 10331844 IUPAC Name: 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione SMILES: CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 10331844 |
|---|---|
| CAS | 83280-65-3 |
| Molecular Weight (g/mol) | 240.21 |
| MDL Number | MFCD28155270 |
| SMILES | CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O |
| Synonym | Napabucasin |
| IUPAC Name | 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione |
| InChI Key | DPHUWDIXHNQOSY-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
3-Ethoxypropionitrile 99.0+%, TCI America™
CAS: 2141-62-0 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 MDL Number: MFCD00001959 InChI Key: DCWQZPJHHVLHSV-UHFFFAOYSA-N Synonym: 3-ethoxypropionitrile,propanenitrile, 3-ethoxy,propionitrile, 3-ethoxy,3-ethoxy-propionitrile,3-ethoxypropiononitrile,beta-ethoxypropionitrile,2-ethoxypropionitrile,alpha-ethoxypropionitrile,propionitrile, 2-ethoxy,.beta.-ethoxypropionitrile PubChem CID: 16501 IUPAC Name: 3-ethoxypropanenitrile SMILES: CCOCCC#N
| PubChem CID | 16501 |
|---|---|
| CAS | 2141-62-0 |
| Molecular Weight (g/mol) | 99.133 |
| MDL Number | MFCD00001959 |
| SMILES | CCOCCC#N |
| Synonym | 3-ethoxypropionitrile,propanenitrile, 3-ethoxy,propionitrile, 3-ethoxy,3-ethoxy-propionitrile,3-ethoxypropiononitrile,beta-ethoxypropionitrile,2-ethoxypropionitrile,alpha-ethoxypropionitrile,propionitrile, 2-ethoxy,.beta.-ethoxypropionitrile |
| IUPAC Name | 3-ethoxypropanenitrile |
| InChI Key | DCWQZPJHHVLHSV-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO |
2-Propoxyethylamine 97.0+%, TCI America™
CAS: 42185-03-5 Molecular Formula: C5H13NO Molecular Weight (g/mol): 103.165 MDL Number: MFCD00047955 InChI Key: HMWXCSCBUXKXSA-UHFFFAOYSA-N Synonym: 2-Aminoethyl Propyl Ether, O-Propylethanolamine PubChem CID: 111878 IUPAC Name: 2-propoxyethanamine SMILES: CCCOCCN
| PubChem CID | 111878 |
|---|---|
| CAS | 42185-03-5 |
| Molecular Weight (g/mol) | 103.165 |
| MDL Number | MFCD00047955 |
| SMILES | CCCOCCN |
| Synonym | 2-Aminoethyl Propyl Ether, O-Propylethanolamine |
| IUPAC Name | 2-propoxyethanamine |
| InChI Key | HMWXCSCBUXKXSA-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO |
8-Quinolinecarboxaldehyde 95.0+%, TCI America™
CAS: 38707-70-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00805837 InChI Key: OVZQVGZERAFSPI-UHFFFAOYSA-N Synonym: 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j PubChem CID: 170103 IUPAC Name: quinoline-8-carbaldehyde SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2
| PubChem CID | 170103 |
|---|---|
| CAS | 38707-70-9 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD00805837 |
| SMILES | C1=CC2=C(C(=C1)C=O)N=CC=C2 |
| Synonym | 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j |
| IUPAC Name | quinoline-8-carbaldehyde |
| InChI Key | OVZQVGZERAFSPI-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
D-Pinitol 98.0+%, TCI America™
CAS: 10284-63-6 Molecular Formula: C7H14O6 Molecular Weight (g/mol): 194.18 MDL Number: MFCD00216659 InChI Key: DSCFFEYYQKSRSV-FEPQRWDDSA-N Synonym: d-pinitol,pinitol,3-o-methyl-d-chiro-inositol,d-+-pinitol,inzitol,pinit,+-pinitol,methylinositol,sennitol,d-ononitol PubChem CID: 164619 IUPAC Name: (1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol SMILES: COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O
| PubChem CID | 164619 |
|---|---|
| CAS | 10284-63-6 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00216659 |
| SMILES | COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O |
| Synonym | d-pinitol,pinitol,3-o-methyl-d-chiro-inositol,d-+-pinitol,inzitol,pinit,+-pinitol,methylinositol,sennitol,d-ononitol |
| IUPAC Name | (1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol |
| InChI Key | DSCFFEYYQKSRSV-FEPQRWDDSA-N |
| Molecular Formula | C7H14O6 |
1,2,3-Cyclohexanetriol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 6286-43-7 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00060111 InChI Key: IZSANPWSFUSNMY-UHFFFAOYSA-N Synonym: Hexahydropyrogallol, Pyrogallitol PubChem CID: 222962 IUPAC Name: cyclohexane-1,2,3-triol SMILES: C1CC(C(C(C1)O)O)O
| PubChem CID | 222962 |
|---|---|
| CAS | 6286-43-7 |
| Molecular Weight (g/mol) | 132.159 |
| MDL Number | MFCD00060111 |
| SMILES | C1CC(C(C(C1)O)O)O |
| Synonym | Hexahydropyrogallol, Pyrogallitol |
| IUPAC Name | cyclohexane-1,2,3-triol |
| InChI Key | IZSANPWSFUSNMY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
4-Bromo-2-methyl-1-indanone 98.0+%, TCI America™
CAS: 174702-59-1 Molecular Formula: C10H9BrO Molecular Weight (g/mol): 225.085 MDL Number: MFCD09881709 InChI Key: AHMJTIYXKJRVFF-UHFFFAOYSA-N PubChem CID: 10537152 IUPAC Name: 4-bromo-2-methyl-2,3-dihydroinden-1-one SMILES: CC1CC2=C(C1=O)C=CC=C2Br
| PubChem CID | 10537152 |
|---|---|
| CAS | 174702-59-1 |
| Molecular Weight (g/mol) | 225.085 |
| MDL Number | MFCD09881709 |
| SMILES | CC1CC2=C(C1=O)C=CC=C2Br |
| IUPAC Name | 4-bromo-2-methyl-2,3-dihydroinden-1-one |
| InChI Key | AHMJTIYXKJRVFF-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO |
2-Propionylthiazole 98.0+%, TCI America™
CAS: 43039-98-1 Molecular Formula: C6H7NOS Molecular Weight (g/mol): 141.188 MDL Number: MFCD01681404 InChI Key: TYRAENAWSLPSLW-UHFFFAOYSA-N Synonym: 2-propionylthiazole,1-thiazol-2-yl propan-1-one,2-propionyl thiazole,thiazole, 2-propionyl,1-propanone, 1-2-thiazolyl,1-2-thiazolyl-1-propanone,ethyl 2-thiazolyl ketone,1-1,3-thiazol-2-yl propan-1-one,2-propionylthiazol,unii-05cb62uh9k PubChem CID: 65288 IUPAC Name: 1-(1,3-thiazol-2-yl)propan-1-one SMILES: CCC(=O)C1=NC=CS1
| PubChem CID | 65288 |
|---|---|
| CAS | 43039-98-1 |
| Molecular Weight (g/mol) | 141.188 |
| MDL Number | MFCD01681404 |
| SMILES | CCC(=O)C1=NC=CS1 |
| Synonym | 2-propionylthiazole,1-thiazol-2-yl propan-1-one,2-propionyl thiazole,thiazole, 2-propionyl,1-propanone, 1-2-thiazolyl,1-2-thiazolyl-1-propanone,ethyl 2-thiazolyl ketone,1-1,3-thiazol-2-yl propan-1-one,2-propionylthiazol,unii-05cb62uh9k |
| IUPAC Name | 1-(1,3-thiazol-2-yl)propan-1-one |
| InChI Key | TYRAENAWSLPSLW-UHFFFAOYSA-N |
| Molecular Formula | C6H7NOS |
epi-Inositol 98.0+%, TCI America™
CAS: 488-58-4 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00077932,MFCD00065455,MFCD00003863,MFCD00272608,MFCD00799555,MFCD00799556,MFCD01321249 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: OC1C(O)C(O)C(O)C(O)C1O
| PubChem CID | 892 |
|---|---|
| CAS | 488-58-4 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD00077932,MFCD00065455,MFCD00003863,MFCD00272608,MFCD00799555,MFCD00799556,MFCD01321249 |
| SMILES | OC1C(O)C(O)C(O)C(O)C1O |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
trans-2-Hexenal 97.0+%, TCI America™
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 |
(S)-2,2'-Dimethoxy-1,1'-binaphthyl 98.0+%, TCI America™
CAS: 75640-87-8 Molecular Formula: C22H18O2 Molecular Weight (g/mol): 314.384 MDL Number: MFCD00091146 InChI Key: BJAADAKPADTRCH-UHFFFAOYSA-N Synonym: (S)-1,1′C-Bi-2-naphthol Dimethyl Ether PubChem CID: 235616 IUPAC Name: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC
| PubChem CID | 235616 |
|---|---|
| CAS | 75640-87-8 |
| Molecular Weight (g/mol) | 314.384 |
| MDL Number | MFCD00091146 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC |
| Synonym | (S)-1,1′C-Bi-2-naphthol Dimethyl Ether |
| IUPAC Name | 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene |
| InChI Key | BJAADAKPADTRCH-UHFFFAOYSA-N |
| Molecular Formula | C22H18O2 |
trans-2-Heptenal 95.0+%, TCI America™
CAS: 18829-55-5 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 MDL Number: MFCD00007010 InChI Key: NDFKTBCGKNOHPJ-AATRIKPKSA-N Synonym: e-hept-2-enal,trans-2-heptenal,2-heptenal,butylacrolein,3-butylacrolein,2-heptenal, e,e-2-hepten-1-al,2-heptenal, 2e,beta-butylacrolein,trans-2-hepten-1-al PubChem CID: 5283316 IUPAC Name: (E)-hept-2-enal SMILES: CCCCC=CC=O
| PubChem CID | 5283316 |
|---|---|
| CAS | 18829-55-5 |
| Molecular Weight (g/mol) | 112.172 |
| MDL Number | MFCD00007010 |
| SMILES | CCCCC=CC=O |
| Synonym | e-hept-2-enal,trans-2-heptenal,2-heptenal,butylacrolein,3-butylacrolein,2-heptenal, e,e-2-hepten-1-al,2-heptenal, 2e,beta-butylacrolein,trans-2-hepten-1-al |
| IUPAC Name | (E)-hept-2-enal |
| InChI Key | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| Molecular Formula | C7H12O |
2-Methyl-1-pentanol 98.0+%, TCI America™
CAS: 105-30-6 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.177 MDL Number: MFCD00004745 InChI Key: PFNHSEQQEPMLNI-UHFFFAOYSA-N Synonym: 2-methyl-1-pentanol,1-pentanol, 2-methyl,2-methylpentanol-1,2-methylpentanol,sec-amyl carbinol,2-methylamyl alcohol,+--2-methylpentanol,2-mpoh,+--2-methyl-1-pentanol,2-methyl-2-propylethanol PubChem CID: 7745 IUPAC Name: 2-methylpentan-1-ol SMILES: CCCC(C)CO
| PubChem CID | 7745 |
|---|---|
| CAS | 105-30-6 |
| Molecular Weight (g/mol) | 102.177 |
| MDL Number | MFCD00004745 |
| SMILES | CCCC(C)CO |
| Synonym | 2-methyl-1-pentanol,1-pentanol, 2-methyl,2-methylpentanol-1,2-methylpentanol,sec-amyl carbinol,2-methylamyl alcohol,+--2-methylpentanol,2-mpoh,+--2-methyl-1-pentanol,2-methyl-2-propylethanol |
| IUPAC Name | 2-methylpentan-1-ol |
| InChI Key | PFNHSEQQEPMLNI-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
7-Bromoisatin 97.0+%, TCI America™
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 |