Organooxygen compounds
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Propiophenone 98.0+%, TCI America™
CAS: 93-55-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00009309 InChI Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N Synonym: propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one PubChem CID: 7148 ChEBI: CHEBI:425902 IUPAC Name: 1-phenylpropan-1-one SMILES: CCC(=O)C1=CC=CC=C1
| PubChem CID | 7148 |
|---|---|
| CAS | 93-55-0 |
| Molecular Weight (g/mol) | 134.178 |
| ChEBI | CHEBI:425902 |
| MDL Number | MFCD00009309 |
| SMILES | CCC(=O)C1=CC=CC=C1 |
| Synonym | propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one |
| IUPAC Name | 1-phenylpropan-1-one |
| InChI Key | KRIOVPPHQSLHCZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
3'-Bromo-4'-hydroxyacetophenone 98.0+%, TCI America™
CAS: 1836-06-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD05663950 InChI Key: LEXAYGVHWYOOAB-UHFFFAOYSA-N PubChem CID: 608094 IUPAC Name: 1-(3-bromo-4-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)O)Br
| PubChem CID | 608094 |
|---|---|
| CAS | 1836-06-2 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD05663950 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)Br |
| IUPAC Name | 1-(3-bromo-4-hydroxyphenyl)ethanone |
| InChI Key | LEXAYGVHWYOOAB-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
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 |
1,5,6,7-Tetrahydro-4H-indol-4-one 99.0+%, TCI America™
CAS: 13754-86-4 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00075438 InChI Key: KASJZXHXXNEULX-UHFFFAOYSA-N Synonym: 4-Oxo-4,5,6,7-tetrahydroindole PubChem CID: 280229 IUPAC Name: 1,5,6,7-tetrahydroindol-4-one SMILES: C1CC2=C(C=CN2)C(=O)C1
| PubChem CID | 280229 |
|---|---|
| CAS | 13754-86-4 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD00075438 |
| SMILES | C1CC2=C(C=CN2)C(=O)C1 |
| Synonym | 4-Oxo-4,5,6,7-tetrahydroindole |
| IUPAC Name | 1,5,6,7-tetrahydroindol-4-one |
| InChI Key | KASJZXHXXNEULX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
2',3',4',5',6'-Pentafluoroacetophenone 98.0+%, TCI America™
CAS: 652-29-9 Molecular Formula: C8H3F5O Molecular Weight (g/mol): 210.10 MDL Number: MFCD00000296 InChI Key: FBGHCYZBCMDEOX-UHFFFAOYSA-N Synonym: 2',3',4',5',6'-pentafluoroacetophenone,1-perfluorophenyl ethanone,pentafluoroacetophenone,1-pentafluorophenyl ethan-1-one,ethanone, 1-pentafluorophenyl,2,3,4,5,6-pentafluoroacetophenone,1-pentafluorphenyl ethanon,1-acetyl-2,3,4,5,6-pentafluorobenzene,acmc-209npz,1-pentafluorophenylethanone PubChem CID: 69546 IUPAC Name: 1-(2,3,4,5,6-pentafluorophenyl)ethan-1-one SMILES: CC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 69546 |
|---|---|
| CAS | 652-29-9 |
| Molecular Weight (g/mol) | 210.10 |
| MDL Number | MFCD00000296 |
| SMILES | CC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 2',3',4',5',6'-pentafluoroacetophenone,1-perfluorophenyl ethanone,pentafluoroacetophenone,1-pentafluorophenyl ethan-1-one,ethanone, 1-pentafluorophenyl,2,3,4,5,6-pentafluoroacetophenone,1-pentafluorphenyl ethanon,1-acetyl-2,3,4,5,6-pentafluorobenzene,acmc-209npz,1-pentafluorophenylethanone |
| IUPAC Name | 1-(2,3,4,5,6-pentafluorophenyl)ethan-1-one |
| InChI Key | FBGHCYZBCMDEOX-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O |
4-Bromo-2-furaldehyde 97.0+%, TCI America™
CAS: 21921-76-6 Molecular Formula: C5H3BrO2 Molecular Weight (g/mol): 174.981 MDL Number: MFCD00671504 InChI Key: MRGBBKQOSUHKPF-UHFFFAOYSA-N Synonym: 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi PubChem CID: 2757010 IUPAC Name: 4-bromofuran-2-carbaldehyde SMILES: C1=C(OC=C1Br)C=O
| PubChem CID | 2757010 |
|---|---|
| CAS | 21921-76-6 |
| Molecular Weight (g/mol) | 174.981 |
| MDL Number | MFCD00671504 |
| SMILES | C1=C(OC=C1Br)C=O |
| Synonym | 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi |
| IUPAC Name | 4-bromofuran-2-carbaldehyde |
| InChI Key | MRGBBKQOSUHKPF-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrO2 |
4'-Hydroxy-2'-methylacetophenone 98.0+%, TCI America™
CAS: 875-59-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002303 InChI Key: IAMNVCJECQWBLZ-UHFFFAOYSA-N Synonym: 4'-hydroxy-2'-methylacetophenone,1-4-hydroxy-2-methylphenyl ethanone,4-hydroxy-2-methylacetophenone,2-methyl-4-hydroxyacetophenone,ethanone, 1-4-hydroxy-2-methylphenyl,3-methyl-4-acetylphenol,1-4-hydroxy-2-methylphenyl ethan-1-one,1-acetyl-4-hydroxy-2-methylbenzene,ethanone,1-4-hydroxy-2-methylphenyl,2'-methyl-4'-hydroxyacetophenone PubChem CID: 70133 ChEBI: CHEBI:87314 IUPAC Name: 1-(4-hydroxy-2-methylphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(O)C=C1C
| PubChem CID | 70133 |
|---|---|
| CAS | 875-59-2 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:87314 |
| MDL Number | MFCD00002303 |
| SMILES | CC(=O)C1=CC=C(O)C=C1C |
| Synonym | 4'-hydroxy-2'-methylacetophenone,1-4-hydroxy-2-methylphenyl ethanone,4-hydroxy-2-methylacetophenone,2-methyl-4-hydroxyacetophenone,ethanone, 1-4-hydroxy-2-methylphenyl,3-methyl-4-acetylphenol,1-4-hydroxy-2-methylphenyl ethan-1-one,1-acetyl-4-hydroxy-2-methylbenzene,ethanone,1-4-hydroxy-2-methylphenyl,2'-methyl-4'-hydroxyacetophenone |
| IUPAC Name | 1-(4-hydroxy-2-methylphenyl)ethan-1-one |
| InChI Key | IAMNVCJECQWBLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Furil 98.0+%, TCI America™
CAS: 492-94-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00003241 InChI Key: SXPUVBFQXJHYNS-UHFFFAOYSA-N Synonym: furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil PubChem CID: 68119 IUPAC Name: 1,2-bis(furan-2-yl)ethane-1,2-dione SMILES: C1=COC(=C1)C(=O)C(=O)C2=CC=CO2
| PubChem CID | 68119 |
|---|---|
| CAS | 492-94-4 |
| Molecular Weight (g/mol) | 190.154 |
| MDL Number | MFCD00003241 |
| SMILES | C1=COC(=C1)C(=O)C(=O)C2=CC=CO2 |
| Synonym | furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil |
| IUPAC Name | 1,2-bis(furan-2-yl)ethane-1,2-dione |
| InChI Key | SXPUVBFQXJHYNS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O4 |
Dimethyl Benzylmalonate 95.0+%, TCI America™
CAS: 49769-78-0 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD01445471 InChI Key: ZMYJSOIMFGAQRQ-UHFFFAOYSA-N Synonym: Benzylmalonic Acid Dimethyl Ester PubChem CID: 10900856 IUPAC Name: 1,3-dimethyl 2-benzylpropanedioate SMILES: COC(=O)C(CC1=CC=CC=C1)C(=O)OC
| PubChem CID | 10900856 |
|---|---|
| CAS | 49769-78-0 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD01445471 |
| SMILES | COC(=O)C(CC1=CC=CC=C1)C(=O)OC |
| Synonym | Benzylmalonic Acid Dimethyl Ester |
| IUPAC Name | 1,3-dimethyl 2-benzylpropanedioate |
| InChI Key | ZMYJSOIMFGAQRQ-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
Copper(I) Hexafluoro-2,4-pentanedionate 1,5-Cyclooctadiene Complex 95.0+%, TCI America™
CAS: 86233-74-1 Molecular Formula: C13H14CuF6O2 Molecular Weight (g/mol): 379.79 MDL Number: MFCD00156517 InChI Key: WSAPIYREFIKPSH-OJKFPHAYSA-N Synonym: copper i hexafluoro-2,4-pentanedionate-cyclooctadiene complex,copper i hexafluoroacetylacetonate cyclooctadiene complex PubChem CID: 92043567 IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene (3Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one copper SMILES: [Cu].C1C\C=C/CC\C=C/1.O\C(=C/C(=O)C(F)(F)F)C(F)(F)F
| PubChem CID | 92043567 |
|---|---|
| CAS | 86233-74-1 |
| Molecular Weight (g/mol) | 379.79 |
| MDL Number | MFCD00156517 |
| SMILES | [Cu].C1C\C=C/CC\C=C/1.O\C(=C/C(=O)C(F)(F)F)C(F)(F)F |
| Synonym | copper i hexafluoro-2,4-pentanedionate-cyclooctadiene complex,copper i hexafluoroacetylacetonate cyclooctadiene complex |
| IUPAC Name | (1Z,5Z)-cycloocta-1,5-diene (3Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one copper |
| InChI Key | WSAPIYREFIKPSH-OJKFPHAYSA-N |
| Molecular Formula | C13H14CuF6O2 |
2-Ethylhexanal 95.0+%, TCI America™
CAS: 123-05-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00006987 InChI Key: LGYNIFWIKSEESD-UHFFFAOYSA-N Synonym: hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde PubChem CID: 31241 IUPAC Name: 2-ethylhexanal SMILES: CCCCC(CC)C=O
| PubChem CID | 31241 |
|---|---|
| CAS | 123-05-7 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00006987 |
| SMILES | CCCCC(CC)C=O |
| Synonym | hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde |
| IUPAC Name | 2-ethylhexanal |
| InChI Key | LGYNIFWIKSEESD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol 98.0+%, TCI America™
CAS: 69088-96-6 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD06200785 InChI Key: DQPSETABKZMTEZ-UHFFFAOYSA-N Synonym: 3-(3-Hydroxy-3-methyl-1-butyn-1-yl)aniline PubChem CID: 112236 IUPAC Name: 4-(3-aminophenyl)-2-methylbut-3-yn-2-ol SMILES: CC(C)(C#CC1=CC(=CC=C1)N)O
| PubChem CID | 112236 |
|---|---|
| CAS | 69088-96-6 |
| Molecular Weight (g/mol) | 175.231 |
| MDL Number | MFCD06200785 |
| SMILES | CC(C)(C#CC1=CC(=CC=C1)N)O |
| Synonym | 3-(3-Hydroxy-3-methyl-1-butyn-1-yl)aniline |
| IUPAC Name | 4-(3-aminophenyl)-2-methylbut-3-yn-2-ol |
| InChI Key | DQPSETABKZMTEZ-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO |
2',4'-Difluoroacetophenone 98.0+%, TCI America™
CAS: 364-83-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00151261 InChI Key: QEWHNJPLPZOEKU-UHFFFAOYSA-N Synonym: 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 PubChem CID: 67770 IUPAC Name: 1-(2,4-difluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)F
| PubChem CID | 67770 |
|---|---|
| CAS | 364-83-0 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00151261 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)F |
| Synonym | 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 |
| IUPAC Name | 1-(2,4-difluorophenyl)ethanone |
| InChI Key | QEWHNJPLPZOEKU-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
3-Bromo-5-chlorosalicylaldehyde 96.0+%, TCI America™
CAS: 19652-32-5 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00051690 InChI Key: KNOYZLVIXXBBIB-UHFFFAOYSA-N Synonym: 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa PubChem CID: 519676 IUPAC Name: 3-bromo-5-chloro-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Cl
| PubChem CID | 519676 |
|---|---|
| CAS | 19652-32-5 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00051690 |
| SMILES | C1=C(C=C(C(=C1Br)O)C=O)Cl |
| Synonym | 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa |
| IUPAC Name | 3-bromo-5-chloro-2-hydroxybenzaldehyde |
| InChI Key | KNOYZLVIXXBBIB-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
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 |