Organooxygen compounds
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2-Formylbenzenesulfonic acid, sodium salt, 90%, tech.
CAS: 1008-72-6 Molecular Formula: C7H5NaO4S Molecular Weight (g/mol): 208.16 MDL Number: MFCD00007478 InChI Key: ADPUQRRLAAPXGT-UHFFFAOYSA-M Synonym: sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate PubChem CID: 3794540 IUPAC Name: sodium;2-formylbenzenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O
| PubChem CID | 3794540 |
|---|---|
| CAS | 1008-72-6 |
| Molecular Weight (g/mol) | 208.16 |
| MDL Number | MFCD00007478 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O |
| Synonym | sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate |
| IUPAC Name | sodium;2-formylbenzenesulfonate |
| InChI Key | ADPUQRRLAAPXGT-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO4S |
4,5-Difluorosalicylaldehyde, 98%
CAS: 199287-52-0 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.10 MDL Number: MFCD08458005 InChI Key: HRLWPXGNZQEUHM-UHFFFAOYSA-N Synonym: 2-hydroxy-4,5-difluorobenzaldehyde,4,5-difluorosalicylaldehyde,4,5-difluorosalicylaldehdye,benzaldehyde, 4,5-difluoro-2-hydroxy,benzaldehyde, 4,5-difluoro-2-hydroxy-9ci,pubchem11007,4,5-difluoro-2-hydroxy-benzaldehyde,4,5-bis fluoranyl-2-oxidanyl-benzaldehyde PubChem CID: 15434553 IUPAC Name: 4,5-difluoro-2-hydroxybenzaldehyde SMILES: OC1=CC(F)=C(F)C=C1C=O
| PubChem CID | 15434553 |
|---|---|
| CAS | 199287-52-0 |
| Molecular Weight (g/mol) | 158.10 |
| MDL Number | MFCD08458005 |
| SMILES | OC1=CC(F)=C(F)C=C1C=O |
| Synonym | 2-hydroxy-4,5-difluorobenzaldehyde,4,5-difluorosalicylaldehyde,4,5-difluorosalicylaldehdye,benzaldehyde, 4,5-difluoro-2-hydroxy,benzaldehyde, 4,5-difluoro-2-hydroxy-9ci,pubchem11007,4,5-difluoro-2-hydroxy-benzaldehyde,4,5-bis fluoranyl-2-oxidanyl-benzaldehyde |
| IUPAC Name | 4,5-difluoro-2-hydroxybenzaldehyde |
| InChI Key | HRLWPXGNZQEUHM-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
3-Pentyn-1-ol, 98%
CAS: 10229-10-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00002956 InChI Key: IDYNOORNKYEHHO-UHFFFAOYSA-N Synonym: 3-pentyn-1-ol,3-pentynol,acmc-1bxad PubChem CID: 66295 IUPAC Name: pent-3-yn-1-ol SMILES: CC#CCCO
| PubChem CID | 66295 |
|---|---|
| CAS | 10229-10-4 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00002956 |
| SMILES | CC#CCCO |
| Synonym | 3-pentyn-1-ol,3-pentynol,acmc-1bxad |
| IUPAC Name | pent-3-yn-1-ol |
| InChI Key | IDYNOORNKYEHHO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2,3-Hexanedione, 94%
CAS: 3848-24-6 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009398 InChI Key: MWVFCEVNXHTDNF-UHFFFAOYSA-N Synonym: 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs PubChem CID: 19707 ChEBI: CHEBI:87583 IUPAC Name: hexane-2,3-dione SMILES: CCCC(=O)C(C)=O
| PubChem CID | 19707 |
|---|---|
| CAS | 3848-24-6 |
| Molecular Weight (g/mol) | 114.14 |
| ChEBI | CHEBI:87583 |
| MDL Number | MFCD00009398 |
| SMILES | CCCC(=O)C(C)=O |
| Synonym | 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs |
| IUPAC Name | hexane-2,3-dione |
| InChI Key | MWVFCEVNXHTDNF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
2-n-Butoxyethyl acetate, 98%
CAS: 112-07-2 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.21 MDL Number: MFCD00009457 InChI Key: NQBXSWAWVZHKBZ-UHFFFAOYSA-N Synonym: butoxyethyl acetate,butyl glycol acetate,butylglycol acetate,ethylene glycol monobutyl ether acetate,2-butoxyethanol acetate,butyl cellosolve acetate,ektasolve eb acetate,ethanol, 2-butoxy-, acetate,butylcelosolvacetat,1-acetoxy-2-butoxyethane PubChem CID: 8160 IUPAC Name: 2-butoxyethyl acetate SMILES: CCCCOCCOC(C)=O
| PubChem CID | 8160 |
|---|---|
| CAS | 112-07-2 |
| Molecular Weight (g/mol) | 160.21 |
| MDL Number | MFCD00009457 |
| SMILES | CCCCOCCOC(C)=O |
| Synonym | butoxyethyl acetate,butyl glycol acetate,butylglycol acetate,ethylene glycol monobutyl ether acetate,2-butoxyethanol acetate,butyl cellosolve acetate,ektasolve eb acetate,ethanol, 2-butoxy-, acetate,butylcelosolvacetat,1-acetoxy-2-butoxyethane |
| IUPAC Name | 2-butoxyethyl acetate |
| InChI Key | NQBXSWAWVZHKBZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O3 |
Butyroin, 97%
CAS: 496-77-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00021928 InChI Key: BVEYJWQCMOVMAR-UHFFFAOYNA-N Synonym: butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone PubChem CID: 219794 IUPAC Name: 5-hydroxyoctan-4-one SMILES: CCCC(O)C(=O)CCC
| PubChem CID | 219794 |
|---|---|
| CAS | 496-77-5 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00021928 |
| SMILES | CCCC(O)C(=O)CCC |
| Synonym | butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone |
| IUPAC Name | 5-hydroxyoctan-4-one |
| InChI Key | BVEYJWQCMOVMAR-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
3-Phenylpropionaldehyde, 95%
CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00007021 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O
| PubChem CID | 7707 |
|---|---|
| CAS | 104-53-0 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00007021 |
| SMILES | C1=CC=C(C=C1)CCC=O |
| Synonym | benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl |
| IUPAC Name | 3-phenylpropanal |
| InChI Key | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Formyl-3-thiopheneboronic acid, 97%
CAS: 4347-31-3 Molecular Formula: C5H5BO3S Molecular Weight (g/mol): 155.96 MDL Number: MFCD01075678 InChI Key: BBENFHSYKBYWJX-UHFFFAOYSA-N Synonym: 2-formylthiophene-3-boronic acid,2-formylthiophen-3-yl boronic acid,2-formyl-3-thiopheneboronic acid,3-borono-2-formylthiophene,2-formyl-3-thienyl boronic acid,2-formyl-3-thienylboronic acid,3-boronothiophene-2-carboxaldehyde,2-formylthien-3-ylboronic acid,boronic acid, 2-formyl-3-thienyl,2-formylthiophene-3-boronicacid PubChem CID: 2773426 IUPAC Name: (2-formylthiophen-3-yl)boronic acid SMILES: OB(O)C1=C(SC=C1)C=O
| PubChem CID | 2773426 |
|---|---|
| CAS | 4347-31-3 |
| Molecular Weight (g/mol) | 155.96 |
| MDL Number | MFCD01075678 |
| SMILES | OB(O)C1=C(SC=C1)C=O |
| Synonym | 2-formylthiophene-3-boronic acid,2-formylthiophen-3-yl boronic acid,2-formyl-3-thiopheneboronic acid,3-borono-2-formylthiophene,2-formyl-3-thienyl boronic acid,2-formyl-3-thienylboronic acid,3-boronothiophene-2-carboxaldehyde,2-formylthien-3-ylboronic acid,boronic acid, 2-formyl-3-thienyl,2-formylthiophene-3-boronicacid |
| IUPAC Name | (2-formylthiophen-3-yl)boronic acid |
| InChI Key | BBENFHSYKBYWJX-UHFFFAOYSA-N |
| Molecular Formula | C5H5BO3S |
Glycerol monoacetate, tech., mixture of isomers, cont. varying amounts of diacetate
CAS: 26446-35-5 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00036185 InChI Key: KMZHZAAOEWVPSE-UHFFFAOYNA-N Synonym: monoacetin,acetin,1-monoacetin,glycerol monoacetate,glyceryl monoacetate,acetoglyceride,glyceryl acetate,acetin, 1-mono,monacetin,glycerol 1-monoacetate PubChem CID: 33510 IUPAC Name: 2,3-dihydroxypropyl acetate SMILES: CC(=O)OCC(O)CO
| PubChem CID | 33510 |
|---|---|
| CAS | 26446-35-5 |
| Molecular Weight (g/mol) | 134.13 |
| MDL Number | MFCD00036185 |
| SMILES | CC(=O)OCC(O)CO |
| Synonym | monoacetin,acetin,1-monoacetin,glycerol monoacetate,glyceryl monoacetate,acetoglyceride,glyceryl acetate,acetin, 1-mono,monacetin,glycerol 1-monoacetate |
| IUPAC Name | 2,3-dihydroxypropyl acetate |
| InChI Key | KMZHZAAOEWVPSE-UHFFFAOYNA-N |
| Molecular Formula | C5H10O4 |
Isochroman, 99%
CAS: 493-05-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006913 InChI Key: HEBMCVBCEDMUOF-UHFFFAOYSA-N Synonym: isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l PubChem CID: 96266 ChEBI: CHEBI:33225 IUPAC Name: 3,4-dihydro-1H-isochromene SMILES: C1CC2=CC=CC=C2CO1
| PubChem CID | 96266 |
|---|---|
| CAS | 493-05-0 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:33225 |
| MDL Number | MFCD00006913 |
| SMILES | C1CC2=CC=CC=C2CO1 |
| Synonym | isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l |
| IUPAC Name | 3,4-dihydro-1H-isochromene |
| InChI Key | HEBMCVBCEDMUOF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
1H-Indole-2-methanol, 96%
CAS: 24621-70-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.17 InChI Key: XEEANGGQJOWRTG-UHFFFAOYSA-N Synonym: 1h-indol-2-yl methanol,1h-indole-2-methanol,1h-indol-2-yl-methanol,2-hydroxymethylindole,2-hydroxymethyl indole,hydroxymethylindol,2-indolemethanol,indole-2-methanol,indol-2-ylmethan-1-ol PubChem CID: 98783 IUPAC Name: 1H-indol-2-ylmethanol SMILES: C1=CC=C2C(=C1)C=C(N2)CO
| PubChem CID | 98783 |
|---|---|
| CAS | 24621-70-3 |
| Molecular Weight (g/mol) | 147.17 |
| SMILES | C1=CC=C2C(=C1)C=C(N2)CO |
| Synonym | 1h-indol-2-yl methanol,1h-indole-2-methanol,1h-indol-2-yl-methanol,2-hydroxymethylindole,2-hydroxymethyl indole,hydroxymethylindol,2-indolemethanol,indole-2-methanol,indol-2-ylmethan-1-ol |
| IUPAC Name | 1H-indol-2-ylmethanol |
| InChI Key | XEEANGGQJOWRTG-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Valerophenone, 99%
CAS: 1009-14-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00009480 InChI Key: XKGLSKVNOSHTAD-UHFFFAOYSA-N Synonym: valerophenone,butyl phenyl ketone,pentanophenone,1-phenyl-1-pentanone,1-pentanone, 1-phenyl,unii-f27q043nt1,n-butyl phenyl ketone,1-benzoylbutane,valerophenone, 8ci PubChem CID: 66093 ChEBI: CHEBI:36812 IUPAC Name: 1-phenylpentan-1-one SMILES: CCCCC(=O)C1=CC=CC=C1
| PubChem CID | 66093 |
|---|---|
| CAS | 1009-14-9 |
| Molecular Weight (g/mol) | 162.23 |
| ChEBI | CHEBI:36812 |
| MDL Number | MFCD00009480 |
| SMILES | CCCCC(=O)C1=CC=CC=C1 |
| Synonym | valerophenone,butyl phenyl ketone,pentanophenone,1-phenyl-1-pentanone,1-pentanone, 1-phenyl,unii-f27q043nt1,n-butyl phenyl ketone,1-benzoylbutane,valerophenone, 8ci |
| IUPAC Name | 1-phenylpentan-1-one |
| InChI Key | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
Malonic acid dihydrazide, 99%
CAS: 3815-86-9 Molecular Formula: C3H8N4O2 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00041268 InChI Key: PSIKPHJLTVSQFO-UHFFFAOYSA-N Synonym: malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine PubChem CID: 77433 IUPAC Name: propanedihydrazide SMILES: NNC(=O)CC(=O)NN
| PubChem CID | 77433 |
|---|---|
| CAS | 3815-86-9 |
| Molecular Weight (g/mol) | 132.12 |
| MDL Number | MFCD00041268 |
| SMILES | NNC(=O)CC(=O)NN |
| Synonym | malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine |
| IUPAC Name | propanedihydrazide |
| InChI Key | PSIKPHJLTVSQFO-UHFFFAOYSA-N |
| Molecular Formula | C3H8N4O2 |
2-Quinoxalinecarbaldehyde, 97+%, Thermo Scientific™
CAS: 1593-08-4 Molecular Formula: C9H6N2O Molecular Weight (g/mol): 158.16 MDL Number: MFCD00272280 InChI Key: UJEHWLFUEQHEEZ-UHFFFAOYSA-N Synonym: 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde PubChem CID: 594088 IUPAC Name: quinoxaline-2-carbaldehyde SMILES: O=CC1=CN=C2C=CC=CC2=N1
| PubChem CID | 594088 |
|---|---|
| CAS | 1593-08-4 |
| Molecular Weight (g/mol) | 158.16 |
| MDL Number | MFCD00272280 |
| SMILES | O=CC1=CN=C2C=CC=CC2=N1 |
| Synonym | 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde |
| IUPAC Name | quinoxaline-2-carbaldehyde |
| InChI Key | UJEHWLFUEQHEEZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O |
meso-Hydrobenzoin, 95%
CAS: 579-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00064253 InChI Key: IHPDTPWNFBQHEB-UHFFFAOYNA-N Synonym: meso-hydrobenzoin,meso-1,2-diphenyl-1,2-ethanediol,unii-co9a49a84i,meso-stilbene glycol,1r,2s-1,2-diphenylethane-1,2-diol,meso-1,2-diphenylethylene glycol,hydrobenzoin, meso,unii-q61g3433lb component PubChem CID: 853018 ChEBI: CHEBI:50015 IUPAC Name: (1R,2S)-1,2-diphenylethane-1,2-diol SMILES: OC(C(O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 853018 |
|---|---|
| CAS | 579-43-1 |
| Molecular Weight (g/mol) | 214.26 |
| ChEBI | CHEBI:50015 |
| MDL Number | MFCD00064253 |
| SMILES | OC(C(O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | meso-hydrobenzoin,meso-1,2-diphenyl-1,2-ethanediol,unii-co9a49a84i,meso-stilbene glycol,1r,2s-1,2-diphenylethane-1,2-diol,meso-1,2-diphenylethylene glycol,hydrobenzoin, meso,unii-q61g3433lb component |
| IUPAC Name | (1R,2S)-1,2-diphenylethane-1,2-diol |
| InChI Key | IHPDTPWNFBQHEB-UHFFFAOYNA-N |
| Molecular Formula | C14H14O2 |