Organooxygen compounds
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1,1,3,3-Tetramethoxypropane, 98%
CAS: 102-52-3 Molecular Formula: C7H16O4 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008488 InChI Key: XHTYQFMRBQUCPX-UHFFFAOYSA-N Synonym: propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy PubChem CID: 66019 IUPAC Name: 1,1,3,3-tetramethoxypropane SMILES: COC(CC(OC)OC)OC
| PubChem CID | 66019 |
|---|---|
| CAS | 102-52-3 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008488 |
| SMILES | COC(CC(OC)OC)OC |
| Synonym | propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy |
| IUPAC Name | 1,1,3,3-tetramethoxypropane |
| InChI Key | XHTYQFMRBQUCPX-UHFFFAOYSA-N |
| Molecular Formula | C7H16O4 |
2,3-Dihydroxybenzaldehyde, 97%
CAS: 24677-78-9 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003324 InChI Key: IXWOUPGDGMCKGT-UHFFFAOYSA-N Synonym: o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde PubChem CID: 90579 ChEBI: CHEBI:50197 IUPAC Name: 2,3-dihydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1)O)O)C=O
| PubChem CID | 90579 |
|---|---|
| CAS | 24677-78-9 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50197 |
| MDL Number | MFCD00003324 |
| SMILES | C1=CC(=C(C(=C1)O)O)C=O |
| Synonym | o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde |
| IUPAC Name | 2,3-dihydroxybenzaldehyde |
| InChI Key | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
2-Hydroxy-3-methoxybenzaldehyde, 99%
CAS: 148-53-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003322 InChI Key: JJVNINGBHGBWJH-UHFFFAOYSA-N Synonym: 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde PubChem CID: 8991 ChEBI: CHEBI:78339 IUPAC Name: 2-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC=CC(C=O)=C1O
| PubChem CID | 8991 |
|---|---|
| CAS | 148-53-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:78339 |
| MDL Number | MFCD00003322 |
| SMILES | COC1=CC=CC(C=O)=C1O |
| Synonym | 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde |
| IUPAC Name | 2-hydroxy-3-methoxybenzaldehyde |
| InChI Key | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-Chloro-N,N,2-trimethylpropenylamine, 98.5+%
CAS: 26189-59-3 Molecular Formula: C6H12ClN Molecular Weight (g/mol): 133.62 InChI Key: GQIRIWDEZSKOCN-UHFFFAOYSA-N Synonym: 1-chloro-n,n,2-trimethylpropenylamine,1-chloro-n,n,2-trimethyl-1-propenylamine,1-chloro-n,n,2-trimethyl-1-propen-1-amine,ghosez inverted exclamation markas reagent,1-propen-1-amine, 1-chloro-n,n,2-trimethyl,1-chloro-2-methylprop-1-en-1-yl dimethylamine,acmc-1ceik,1-chloro-1-dimethylaminoisobutene,1-chloro-2,n,n-trimethylpropenylamine,1-chloro-n,n-2-trimethylpropenylamine PubChem CID: 640792 IUPAC Name: 1-chloro-N,N,2-trimethylprop-1-en-1-amine SMILES: CC(=C(N(C)C)Cl)C
| PubChem CID | 640792 |
|---|---|
| CAS | 26189-59-3 |
| Molecular Weight (g/mol) | 133.62 |
| SMILES | CC(=C(N(C)C)Cl)C |
| Synonym | 1-chloro-n,n,2-trimethylpropenylamine,1-chloro-n,n,2-trimethyl-1-propenylamine,1-chloro-n,n,2-trimethyl-1-propen-1-amine,ghosez inverted exclamation markas reagent,1-propen-1-amine, 1-chloro-n,n,2-trimethyl,1-chloro-2-methylprop-1-en-1-yl dimethylamine,acmc-1ceik,1-chloro-1-dimethylaminoisobutene,1-chloro-2,n,n-trimethylpropenylamine,1-chloro-n,n-2-trimethylpropenylamine |
| IUPAC Name | 1-chloro-N,N,2-trimethylprop-1-en-1-amine |
| InChI Key | GQIRIWDEZSKOCN-UHFFFAOYSA-N |
| Molecular Formula | C6H12ClN |
(S)-(+)-1,2-Propanediol, 97%
CAS: 4254-15-3 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00004539 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N Synonym: s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo PubChem CID: 439846 ChEBI: CHEBI:29002 SMILES: CC(O)CO
| PubChem CID | 439846 |
|---|---|
| CAS | 4254-15-3 |
| Molecular Weight (g/mol) | 76.10 |
| ChEBI | CHEBI:29002 |
| MDL Number | MFCD00004539 |
| SMILES | CC(O)CO |
| Synonym | s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2 |
3-Acetylindole, 98%
CAS: 703-80-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00005626 InChI Key: VUIMBZIZZFSQEE-UHFFFAOYSA-N Synonym: 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one PubChem CID: 12802 IUPAC Name: 1-(1H-indol-3-yl)ethanone SMILES: CC(=O)C1=CNC2=CC=CC=C21
| PubChem CID | 12802 |
|---|---|
| CAS | 703-80-0 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00005626 |
| SMILES | CC(=O)C1=CNC2=CC=CC=C21 |
| Synonym | 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one |
| IUPAC Name | 1-(1H-indol-3-yl)ethanone |
| InChI Key | VUIMBZIZZFSQEE-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
Propylene Glycol, FCC, 99.5%, Spectrum™ Chemical
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CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N IUPAC Name: propane-1,2-diol SMILES: CC(O)CO
| CAS | 57-55-6 |
|---|---|
| Molecular Weight (g/mol) | 76.10 |
| SMILES | CC(O)CO |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2 |
| CAS | 6638-05-7 |
|---|---|
| MDL Number | MFCD00017289 |
4-(Trifluoromethoxy)benzaldehyde, 99%
CAS: 659-28-9 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00041530 InChI Key: XQNVDQZWOBPLQZ-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx PubChem CID: 69573 IUPAC Name: 4-(trifluoromethoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC(F)(F)F
| PubChem CID | 69573 |
|---|---|
| CAS | 659-28-9 |
| Molecular Weight (g/mol) | 190.12 |
| MDL Number | MFCD00041530 |
| SMILES | C1=CC(=CC=C1C=O)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx |
| IUPAC Name | 4-(trifluoromethoxy)benzaldehyde |
| InChI Key | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2 |
Aminoacetaldehyde dimethyl acetal, 99%
CAS: 22483-09-6 MDL Number: MFCD00008135 InChI Key: QKWWDTYDYOFRJL-UHFFFAOYSA-N Synonym: aminoacetaldehyde dimethyl acetal,2,2-dimethoxyethylamine,ethanamine, 2,2-dimethoxy,2,2-dimethoxyethan-1-amine,dimethylaminoacetal,amino acetaldehyde dimethyl acetal,1-amino-2,2-dimethoxyethane,2-aminoacetaldehyde dimethyl acetal,acetaldehyde, amino-, dimethyl acetal,acmc-209fwr PubChem CID: 89728 IUPAC Name: 2,2-dimethoxyethanamine SMILES: COC(CN)OC
| PubChem CID | 89728 |
|---|---|
| CAS | 22483-09-6 |
| MDL Number | MFCD00008135 |
| SMILES | COC(CN)OC |
| Synonym | aminoacetaldehyde dimethyl acetal,2,2-dimethoxyethylamine,ethanamine, 2,2-dimethoxy,2,2-dimethoxyethan-1-amine,dimethylaminoacetal,amino acetaldehyde dimethyl acetal,1-amino-2,2-dimethoxyethane,2-aminoacetaldehyde dimethyl acetal,acetaldehyde, amino-, dimethyl acetal,acmc-209fwr |
| IUPAC Name | 2,2-dimethoxyethanamine |
| InChI Key | QKWWDTYDYOFRJL-UHFFFAOYSA-N |
Methyl 4-formylbenzoate, 99%
CAS: 1571-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00006950 InChI Key: FEIOASZZURHTHB-UHFFFAOYSA-N Synonym: methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate PubChem CID: 15294 IUPAC Name: methyl 4-formylbenzoate SMILES: COC(=O)C1=CC=C(C=O)C=C1
| PubChem CID | 15294 |
|---|---|
| CAS | 1571-08-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00006950 |
| SMILES | COC(=O)C1=CC=C(C=O)C=C1 |
| Synonym | methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate |
| IUPAC Name | methyl 4-formylbenzoate |
| InChI Key | FEIOASZZURHTHB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
3-Hydroxybenzaldehyde, 98.5%
CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O
| PubChem CID | 101 |
|---|---|
| CAS | 100-83-4 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:16207 |
| MDL Number | MFCD00003368 |
| SMILES | C1=CC(=CC(=C1)O)C=O |
| Synonym | m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde |
| IUPAC Name | 3-hydroxybenzaldehyde |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
4'-Ethoxyacetophenone, 99%
CAS: 1676-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009095 InChI Key: YJFNFQHMQJCPRG-UHFFFAOYSA-N Synonym: 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone PubChem CID: 72872 IUPAC Name: 1-(4-ethoxyphenyl)ethanone SMILES: CCOC1=CC=C(C=C1)C(C)=O
| PubChem CID | 72872 |
|---|---|
| CAS | 1676-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00009095 |
| SMILES | CCOC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone |
| IUPAC Name | 1-(4-ethoxyphenyl)ethanone |
| InChI Key | YJFNFQHMQJCPRG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3-Mercapto-1,2-propanediol, 90 wt% aqueous solution
CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N Synonym: 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol PubChem CID: 7291 ChEBI: CHEBI:74537 IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| PubChem CID | 7291 |
|---|---|
| CAS | 96-27-5 |
| Molecular Weight (g/mol) | 108.16 |
| ChEBI | CHEBI:74537 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| Synonym | 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
4-Nitrobenzo-15-crown-5, 99%, Thermo Scientific Chemicals
CAS: 60835-69-0 Molecular Formula: C14H19NO7 Molecular Weight (g/mol): 313.306 MDL Number: MFCD00060713 InChI Key: XIWRBQVYCZCEPG-UHFFFAOYSA-N Synonym: 4-nitrobenzo-15-crown-5,4'-nitrobenzo-15-crown-5,nitrobenzo-15-crown-5,15-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine,17-nitro-2,5,8,11,14-pentaoxabicyclo 13.4.0 nonadeca-1 15 ,16,18-triene,17-nitro-2,3-benzo-1,4,7,10,13-pentaoxacyclopentadecen-2,4-nitro-benzo-15-crown-5,xiwrbqvyczcepg-uhfffaoysa,4'-nitrobenzo-15-crown 5-ether PubChem CID: 143747 IUPAC Name: 17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene SMILES: C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1
| PubChem CID | 143747 |
|---|---|
| CAS | 60835-69-0 |
| Molecular Weight (g/mol) | 313.306 |
| MDL Number | MFCD00060713 |
| SMILES | C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1 |
| Synonym | 4-nitrobenzo-15-crown-5,4'-nitrobenzo-15-crown-5,nitrobenzo-15-crown-5,15-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine,17-nitro-2,5,8,11,14-pentaoxabicyclo 13.4.0 nonadeca-1 15 ,16,18-triene,17-nitro-2,3-benzo-1,4,7,10,13-pentaoxacyclopentadecen-2,4-nitro-benzo-15-crown-5,xiwrbqvyczcepg-uhfffaoysa,4'-nitrobenzo-15-crown 5-ether |
| IUPAC Name | 17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene |
| InChI Key | XIWRBQVYCZCEPG-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO7 |