Organooxygen compounds
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7-Chloroisatin, 97%
CAS: 7477-63-6 Molecular Formula: C8H4ClNO2 Molecular Weight (g/mol): 181.575 MDL Number: MFCD00022796 InChI Key: MPLXQMMMGDYXIT-UHFFFAOYSA-N PubChem CID: 344135 IUPAC Name: 7-chloro-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Cl)NC(=O)C2=O
| PubChem CID | 344135 |
|---|---|
| CAS | 7477-63-6 |
| Molecular Weight (g/mol) | 181.575 |
| MDL Number | MFCD00022796 |
| SMILES | C1=CC2=C(C(=C1)Cl)NC(=O)C2=O |
| IUPAC Name | 7-chloro-1H-indole-2,3-dione |
| InChI Key | MPLXQMMMGDYXIT-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNO2 |
Indole-2-carboxaldehyde, 97%
CAS: 19005-93-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD03001425 InChI Key: SBNOTUDDIXOFSN-UHFFFAOYSA-N Synonym: indole-2-carboxaldehyde,1h-indole-2-carboxaldehyde,indole-2-carbaldehyde,2-formylindole,2-formyl-1h-indole,1h-indolecarboxaldehyde,unii-r5n9cd7dlm,r5n9cd7dlm,methanol, 2h-indol-2-ylidene-, 1e-9ci,indolaldehyd PubChem CID: 96389 IUPAC Name: 1H-indole-2-carbaldehyde SMILES: O=CC1=CC2=CC=CC=C2N1
| PubChem CID | 96389 |
|---|---|
| CAS | 19005-93-7 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD03001425 |
| SMILES | O=CC1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxaldehyde,1h-indole-2-carboxaldehyde,indole-2-carbaldehyde,2-formylindole,2-formyl-1h-indole,1h-indolecarboxaldehyde,unii-r5n9cd7dlm,r5n9cd7dlm,methanol, 2h-indol-2-ylidene-, 1e-9ci,indolaldehyd |
| IUPAC Name | 1H-indole-2-carbaldehyde |
| InChI Key | SBNOTUDDIXOFSN-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
5,7-Difluoro-1-indanone, 97%
CAS: 84315-25-3 Molecular Formula: C9H6F2O Molecular Weight (g/mol): 168.14 MDL Number: MFCD09908161 InChI Key: XWZGNWCKXLECBO-UHFFFAOYSA-N Synonym: 5,7-difluoro-1-indanone,5,7-difluoro-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5,7-difluoro-2,3-dihydro,5,7-difluoroindan-1-one,1h-inden-1-one,5,7-difluoro-2,3-dihydro,acmc-20a83k,5,7-difluoro-2,3-dihydro-1h-indene-1-one PubChem CID: 11789595 IUPAC Name: 5,7-difluoro-2,3-dihydroinden-1-one SMILES: FC1=CC(F)=C2C(=O)CCC2=C1
| PubChem CID | 11789595 |
|---|---|
| CAS | 84315-25-3 |
| Molecular Weight (g/mol) | 168.14 |
| MDL Number | MFCD09908161 |
| SMILES | FC1=CC(F)=C2C(=O)CCC2=C1 |
| Synonym | 5,7-difluoro-1-indanone,5,7-difluoro-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5,7-difluoro-2,3-dihydro,5,7-difluoroindan-1-one,1h-inden-1-one,5,7-difluoro-2,3-dihydro,acmc-20a83k,5,7-difluoro-2,3-dihydro-1h-indene-1-one |
| IUPAC Name | 5,7-difluoro-2,3-dihydroinden-1-one |
| InChI Key | XWZGNWCKXLECBO-UHFFFAOYSA-N |
| Molecular Formula | C9H6F2O |
4-Acetyl-N-methylaniline, 97%
CAS: 17687-47-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD09261160 InChI Key: GDBAYICEBDZUNM-UHFFFAOYSA-N Synonym: 4-acetyl-n-methylaniline,1-4-methylamino phenyl ethanone,4-acetyl-n-methyl aniline,1-4-methylamino phenyl ethan-1-one,1-4-methylamino-phenyl-ethanone,ethanone, 1-4-methylamino phenyl,n-methyl-4-acetylaniline,acmc-1brn7,4-n-methylaminoacetophenone PubChem CID: 11607936 IUPAC Name: 1-[4-(methylamino)phenyl]ethanone SMILES: CNC1=CC=C(C=C1)C(C)=O
| PubChem CID | 11607936 |
|---|---|
| CAS | 17687-47-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD09261160 |
| SMILES | CNC1=CC=C(C=C1)C(C)=O |
| Synonym | 4-acetyl-n-methylaniline,1-4-methylamino phenyl ethanone,4-acetyl-n-methyl aniline,1-4-methylamino phenyl ethan-1-one,1-4-methylamino-phenyl-ethanone,ethanone, 1-4-methylamino phenyl,n-methyl-4-acetylaniline,acmc-1brn7,4-n-methylaminoacetophenone |
| IUPAC Name | 1-[4-(methylamino)phenyl]ethanone |
| InChI Key | GDBAYICEBDZUNM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
1-Methylimidazole-2-carboxaldehyde, 98%
CAS: 13750-81-7 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01321308 InChI Key: UEBFLTZXUXZPJO-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 PubChem CID: 139575 IUPAC Name: 1-methylimidazole-2-carbaldehyde SMILES: CN1C=CN=C1C=O
| PubChem CID | 139575 |
|---|---|
| CAS | 13750-81-7 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01321308 |
| SMILES | CN1C=CN=C1C=O |
| Synonym | 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 |
| IUPAC Name | 1-methylimidazole-2-carbaldehyde |
| InChI Key | UEBFLTZXUXZPJO-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
iso-Amyl Alcohol, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO
| PubChem CID | 31260 |
|---|---|
| CAS | 123-51-3 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:15837 |
| SMILES | CC(C)CCO |
| Synonym | 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol |
| IUPAC Name | 3-methylbutan-1-ol |
| InChI Key | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
L-Ascorbic Acid ACS AR, Macron Fine Chemicals™
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
2-Bromo-4'-chloroacetophenone, 98%
CAS: 536-38-9 Molecular Formula: C8H6BrClO Molecular Weight (g/mol): 233.489 MDL Number: MFCD00000625 InChI Key: FLAYZKKEOIAALB-UHFFFAOYSA-N Synonym: 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone PubChem CID: 68303 IUPAC Name: 2-bromo-1-(4-chlorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Cl
| PubChem CID | 68303 |
|---|---|
| CAS | 536-38-9 |
| Molecular Weight (g/mol) | 233.489 |
| MDL Number | MFCD00000625 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Cl |
| Synonym | 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone |
| IUPAC Name | 2-bromo-1-(4-chlorophenyl)ethanone |
| InChI Key | FLAYZKKEOIAALB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO |
3,5-Dibromosalicylaldehyde, 98%
CAS: 90-59-5 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00003318 InChI Key: JHZOXYGFQMROFJ-UHFFFAOYSA-N Synonym: 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde PubChem CID: 7024 IUPAC Name: 3,5-dibromo-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Br
| PubChem CID | 7024 |
|---|---|
| CAS | 90-59-5 |
| Molecular Weight (g/mol) | 279.915 |
| MDL Number | MFCD00003318 |
| SMILES | C1=C(C=C(C(=C1Br)O)C=O)Br |
| Synonym | 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde |
| IUPAC Name | 3,5-dibromo-2-hydroxybenzaldehyde |
| InChI Key | JHZOXYGFQMROFJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |
2-Chlorobenzoylacetonitrile, 95%
CAS: 40018-25-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051624 InChI Key: SBSWHTFHLWSSQS-UHFFFAOYSA-N Synonym: 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle PubChem CID: 2734201 IUPAC Name: 3-(2-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl
| PubChem CID | 2734201 |
|---|---|
| CAS | 40018-25-5 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051624 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC#N)Cl |
| Synonym | 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle |
| IUPAC Name | 3-(2-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | SBSWHTFHLWSSQS-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
2-Pyridinemethanol, 98+%
CAS: 586-98-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00006348 InChI Key: SHNUBALDGXWUJI-UHFFFAOYSA-N Synonym: 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol PubChem CID: 11474 IUPAC Name: pyridin-2-ylmethanol SMILES: C1=CC=NC(=C1)CO
| PubChem CID | 11474 |
|---|---|
| CAS | 586-98-1 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD00006348 |
| SMILES | C1=CC=NC(=C1)CO |
| Synonym | 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol |
| IUPAC Name | pyridin-2-ylmethanol |
| InChI Key | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
D-(+)-Maltose monohydrate, 95 to 98%, MP Biomedicals™
CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
| CAS | 6363-53-7 |
|---|---|
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00149343 |
| SMILES | O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O |
| Synonym | d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra |
| IUPAC Name | 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | HBDJFVFTHLOSDW-UHFFFAOYNA-N |
| Molecular Formula | C12H24O12 |
m-Toluoylacetonitrile, 97%
CAS: 53882-81-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00067922 InChI Key: IVLKDYOTZMFMLO-UHFFFAOYSA-N Synonym: 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile PubChem CID: 143105 IUPAC Name: 3-(3-methylphenyl)-3-oxopropanenitrile SMILES: CC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 143105 |
|---|---|
| CAS | 53882-81-8 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00067922 |
| SMILES | CC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile |
| IUPAC Name | 3-(3-methylphenyl)-3-oxopropanenitrile |
| InChI Key | IVLKDYOTZMFMLO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
5-Bromovanillin, 98%
CAS: 2973-76-4 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD00006940 InChI Key: KLSHZDPXXKAHIJ-UHFFFAOYSA-N Synonym: 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline PubChem CID: 18099 IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(Br)=C1O
| PubChem CID | 18099 |
|---|---|
| CAS | 2973-76-4 |
| Molecular Weight (g/mol) | 231.05 |
| MDL Number | MFCD00006940 |
| SMILES | COC1=CC(C=O)=CC(Br)=C1O |
| Synonym | 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline |
| IUPAC Name | 3-bromo-4-hydroxy-5-methoxybenzaldehyde |
| InChI Key | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
5-Acetylthiophene-2-carbonitrile, 97%
CAS: 88653-55-8 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00052314 InChI Key: VSHPLUBHIUFLES-UHFFFAOYSA-N Synonym: 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci PubChem CID: 2747565 IUPAC Name: 5-acetylthiophene-2-carbonitrile SMILES: CC(=O)C1=CC=C(S1)C#N
| PubChem CID | 2747565 |
|---|---|
| CAS | 88653-55-8 |
| Molecular Weight (g/mol) | 151.183 |
| MDL Number | MFCD00052314 |
| SMILES | CC(=O)C1=CC=C(S1)C#N |
| Synonym | 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci |
| IUPAC Name | 5-acetylthiophene-2-carbonitrile |
| InChI Key | VSHPLUBHIUFLES-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |