Organooxygen compounds
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Dimethyl 1,4-Cyclohexanedione-2,5-dicarboxylate 98.0+%, TCI America™
CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 IUPAC Name: 1,4-dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
| PubChem CID | 94866 |
|---|---|
| CAS | 6289-46-9 |
| Molecular Weight (g/mol) | 228.20 |
| MDL Number | MFCD00001607 |
| SMILES | COC(=O)C1CC(=O)C(CC1=O)C(=O)OC |
| Synonym | dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester |
| IUPAC Name | 1,4-dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate |
| InChI Key | MHKKFFHWMKEBDW-UHFFFAOYNA-N |
| Molecular Formula | C10H12O6 |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine Hydrochloride 98.0+%, TCI America™
CAS: 86604-75-3 Molecular Formula: C9H13Cl2NO Molecular Weight (g/mol): 222.109 MDL Number: MFCD00277472 InChI Key: LCJDHJOUOJSJGS-UHFFFAOYSA-N Synonym: 2-chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxypyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxy pyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4 methoxypyridine hydrochloride,2-chloromethyl-4-methoxy-3,5-dimethylpyridine hcl,pyridine, 2-chloromethyl-4-methoxy-3,5-dimethyl-, hydrochloride,2-chloromethyl-3,5-dimethyl-4-pyridinyl methyl ether hydrochloride,pubchem2236 PubChem CID: 11694258 IUPAC Name: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride SMILES: CC1=CN=C(C(=C1OC)C)CCl.Cl
| PubChem CID | 11694258 |
|---|---|
| CAS | 86604-75-3 |
| Molecular Weight (g/mol) | 222.109 |
| MDL Number | MFCD00277472 |
| SMILES | CC1=CN=C(C(=C1OC)C)CCl.Cl |
| Synonym | 2-chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxypyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxy pyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4 methoxypyridine hydrochloride,2-chloromethyl-4-methoxy-3,5-dimethylpyridine hcl,pyridine, 2-chloromethyl-4-methoxy-3,5-dimethyl-, hydrochloride,2-chloromethyl-3,5-dimethyl-4-pyridinyl methyl ether hydrochloride,pubchem2236 |
| IUPAC Name | 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride |
| InChI Key | LCJDHJOUOJSJGS-UHFFFAOYSA-N |
| Molecular Formula | C9H13Cl2NO |
5-Chloro-1-methylisatin 98.0+%, TCI America™
CAS: 60434-13-1 Molecular Formula: C9H6ClNO2 Molecular Weight (g/mol): 195.60 MDL Number: MFCD02956479 InChI Key: NJOPQQPDPYWFFA-UHFFFAOYSA-N Synonym: 5-Chloro-1-methylindole-2,3-dione, 5-Chloro-1-methyl-2,3-indolinedione PubChem CID: 108941 IUPAC Name: 5-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC(Cl)=CC=C12
| PubChem CID | 108941 |
|---|---|
| CAS | 60434-13-1 |
| Molecular Weight (g/mol) | 195.60 |
| MDL Number | MFCD02956479 |
| SMILES | CN1C(=O)C(=O)C2=CC(Cl)=CC=C12 |
| Synonym | 5-Chloro-1-methylindole-2,3-dione, 5-Chloro-1-methyl-2,3-indolinedione |
| IUPAC Name | 5-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | NJOPQQPDPYWFFA-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO2 |
5-(Chloroacetyl)oxindole 98.0+%, TCI America™
CAS: 65435-04-3 Molecular Formula: C10H8ClNO2 Molecular Weight (g/mol): 209.629 MDL Number: MFCD04115734 InChI Key: WXJWBEAGVWVEDM-UHFFFAOYSA-N Synonym: 5-(Chloroacetyl)-2-indolinone PubChem CID: 2060576 IUPAC Name: 5-(2-chloroacetyl)-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)C(=O)CCl)NC1=O
| PubChem CID | 2060576 |
|---|---|
| CAS | 65435-04-3 |
| Molecular Weight (g/mol) | 209.629 |
| MDL Number | MFCD04115734 |
| SMILES | C1C2=C(C=CC(=C2)C(=O)CCl)NC1=O |
| Synonym | 5-(Chloroacetyl)-2-indolinone |
| IUPAC Name | 5-(2-chloroacetyl)-1,3-dihydroindol-2-one |
| InChI Key | WXJWBEAGVWVEDM-UHFFFAOYSA-N |
| Molecular Formula | C10H8ClNO2 |
3,4-Diethoxybenzaldehyde 98.0+%, TCI America™
CAS: 2029-94-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016607 InChI Key: SSTRYEXQYQGGAS-UHFFFAOYSA-N PubChem CID: 74847 IUPAC Name: 3,4-diethoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OCC
| PubChem CID | 74847 |
|---|---|
| CAS | 2029-94-9 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00016607 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)OCC |
| IUPAC Name | 3,4-diethoxybenzaldehyde |
| InChI Key | SSTRYEXQYQGGAS-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
| PubChem CID | 4143377 |
|---|---|
| CAS | 206551-43-1 |
| Molecular Weight (g/mol) | 169.989 |
| MDL Number | MFCD01075681 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(S1)C(=O)C)(O)O |
| TSCA | No |
| IUPAC Name | (5-acetylthiophen-2-yl)boronic acid |
| InChI Key | DCNMATSPQKWETQ-UHFFFAOYSA-N |
| Molecular Formula | C6H7BO3S |
| Formula Weight | 169.99 |
2-Furoyltrifluoroacetone, TCI America™
CAS: 326-90-9 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00020935 InChI Key: OWLPCALGCHDBCN-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-furan-2-yl butane-1,3-dione,2-furoyltrifluoroacetone,furoyltrifluoroacetone,4,4,4-trifluoro-1-2-furyl-1,3-butanedione,perfluoroacetyl 2-furoyl methane,furonyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-furanyl,4,4,4-trifluoro-1-2-furyl butane-1,3-dione,2-furoyl trifluoro acetone,4,4,4-trifluoro-1-2-furanyl-1,3-butanedione PubChem CID: 67594 IUPAC Name: 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CO1
| PubChem CID | 67594 |
|---|---|
| CAS | 326-90-9 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD00020935 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CO1 |
| Synonym | 4,4,4-trifluoro-1-furan-2-yl butane-1,3-dione,2-furoyltrifluoroacetone,furoyltrifluoroacetone,4,4,4-trifluoro-1-2-furyl-1,3-butanedione,perfluoroacetyl 2-furoyl methane,furonyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-furanyl,4,4,4-trifluoro-1-2-furyl butane-1,3-dione,2-furoyl trifluoro acetone,4,4,4-trifluoro-1-2-furanyl-1,3-butanedione |
| IUPAC Name | 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione |
| InChI Key | OWLPCALGCHDBCN-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |
DL-4-Hydroxy-3-methoxymandelic Acid 98.0+%, TCI America™
CAS: 55-10-7 Molecular Formula: C9H9O5 Molecular Weight (g/mol): 197.17 MDL Number: MFCD00004235 InChI Key: CGQCWMIAEPEHNQ-QMMMGPOBSA-M Synonym: vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy PubChem CID: 1245 ChEBI: CHEBI:20106 IUPAC Name: (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate SMILES: COC1=CC(=CC=C1O)[C@H](O)C([O-])=O
| PubChem CID | 1245 |
|---|---|
| CAS | 55-10-7 |
| Molecular Weight (g/mol) | 197.17 |
| ChEBI | CHEBI:20106 |
| MDL Number | MFCD00004235 |
| SMILES | COC1=CC(=CC=C1O)[C@H](O)C([O-])=O |
| Synonym | vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy |
| IUPAC Name | (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate |
| InChI Key | CGQCWMIAEPEHNQ-QMMMGPOBSA-M |
| Molecular Formula | C9H9O5 |
Cyclopropanemethanol 98.0+%, TCI America™
CAS: 2516-33-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00001309 InChI Key: GUDMZGLFZNLYEY-UHFFFAOYSA-N Synonym: cyclopropanemethanol,cyclopropyl carbinol,cyclopropylcarbinol,cyclopropylmethyl alcohol,hydroxymethyl cyclopropane,cyclopropanemethyl alcohol,cyclopropylcarbinyl alcohol,hydroxymethylcyclopropane,cyclopropyl-methanol,cyclopropane methanol PubChem CID: 75644 IUPAC Name: cyclopropylmethanol SMILES: OCC1CC1
| PubChem CID | 75644 |
|---|---|
| CAS | 2516-33-8 |
| Molecular Weight (g/mol) | 72.11 |
| MDL Number | MFCD00001309 |
| SMILES | OCC1CC1 |
| Synonym | cyclopropanemethanol,cyclopropyl carbinol,cyclopropylcarbinol,cyclopropylmethyl alcohol,hydroxymethyl cyclopropane,cyclopropanemethyl alcohol,cyclopropylcarbinyl alcohol,hydroxymethylcyclopropane,cyclopropyl-methanol,cyclopropane methanol |
| IUPAC Name | cyclopropylmethanol |
| InChI Key | GUDMZGLFZNLYEY-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
4(5)-Hydroxymethylimidazole Hydrochloride 98.0+%, TCI America™
CAS: 32673-41-9 Molecular Formula: C4H7ClN2O Molecular Weight (g/mol): 134.56 MDL Number: MFCD00012697 InChI Key: WFNASTYGEKUMIY-UHFFFAOYSA-N Synonym: 4-imidazolemethanol hydrochloride,4-hydroxymethyl imidazole hydrochloride,1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethylimidazole hydrochloride,imidazol-4-ylmethanol hydrochloride,1h-imidazol-4-ylmethanol hydrochloride,1h-imidazol-5-ylmethanol hydrochloride,4-hydroxymethyl imidazole hcl,1h-imidazole-4-ylmethanol hydrochloride,4 5-hydroxymethylimidazole hydrochloride PubChem CID: 122926 IUPAC Name: (1H-imidazol-5-yl)methanol hydrochloride SMILES: Cl.OCC1=CN=CN1
| PubChem CID | 122926 |
|---|---|
| CAS | 32673-41-9 |
| Molecular Weight (g/mol) | 134.56 |
| MDL Number | MFCD00012697 |
| SMILES | Cl.OCC1=CN=CN1 |
| Synonym | 4-imidazolemethanol hydrochloride,4-hydroxymethyl imidazole hydrochloride,1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethylimidazole hydrochloride,imidazol-4-ylmethanol hydrochloride,1h-imidazol-4-ylmethanol hydrochloride,1h-imidazol-5-ylmethanol hydrochloride,4-hydroxymethyl imidazole hcl,1h-imidazole-4-ylmethanol hydrochloride,4 5-hydroxymethylimidazole hydrochloride |
| IUPAC Name | (1H-imidazol-5-yl)methanol hydrochloride |
| InChI Key | WFNASTYGEKUMIY-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClN2O |
4-(Trifluoromethyl)cyclohexanemethanol (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 883731-58-6 Molecular Formula: C8H13F3O Molecular Weight (g/mol): 182.19 MDL Number: MFCD21324328,MFCD29054589 InChI Key: DYUAPKHFRXRMTL-UHFFFAOYSA-N PubChem CID: 44228198 IUPAC Name: [4-(trifluoromethyl)cyclohexyl]methanol SMILES: OCC1CCC(CC1)C(F)(F)F
| PubChem CID | 44228198 |
|---|---|
| CAS | 883731-58-6 |
| Molecular Weight (g/mol) | 182.19 |
| MDL Number | MFCD21324328,MFCD29054589 |
| SMILES | OCC1CCC(CC1)C(F)(F)F |
| IUPAC Name | [4-(trifluoromethyl)cyclohexyl]methanol |
| InChI Key | DYUAPKHFRXRMTL-UHFFFAOYSA-N |
| Molecular Formula | C8H13F3O |
4-tert-Butylthiacalix[4]arene 98.0+%, TCI America™
CAS: 182496-55-5 Molecular Formula: C40H48O4S4 Molecular Weight (g/mol): 721.06 MDL Number: MFCD04038412 InChI Key: PDEJSTNRUYUEQL-UHFFFAOYSA-N Synonym: Tetra-tert-butyl(tetrahydroxy)tetrathiacalix[4]arene PubChem CID: 5242247 SMILES: CC(C)(C)C1=CC2=C(C(=C1)SC3=CC(=CC(=C3O)SC4=CC(=CC(=C4O)SC5=C(C(=CC(=C5)C(C)(C)C)S2)O)C(C)(C)C)C(C)(C)C)O
| PubChem CID | 5242247 |
|---|---|
| CAS | 182496-55-5 |
| Molecular Weight (g/mol) | 721.06 |
| MDL Number | MFCD04038412 |
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)SC3=CC(=CC(=C3O)SC4=CC(=CC(=C4O)SC5=C(C(=CC(=C5)C(C)(C)C)S2)O)C(C)(C)C)C(C)(C)C)O |
| Synonym | Tetra-tert-butyl(tetrahydroxy)tetrathiacalix[4]arene |
| InChI Key | PDEJSTNRUYUEQL-UHFFFAOYSA-N |
| Molecular Formula | C40H48O4S4 |
(R)-(-)-1,2-Propanediol 97.0+%, TCI America™
CAS: 4254-14-2 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00066248 InChI Key: DNIAPMSPPWPWGF-GSVOUGTGSA-N Synonym: r---1,2-propanediol,r-propane-1,2-diol,2r-propane-1,2-diol,r-1,2-propanediol,r-propylene glycol,2r-1,2-propanediol,r---1,2-dihydroxypropane,unii-602hn5l69h PubChem CID: 259994 ChEBI: CHEBI:28972 IUPAC Name: (2R)-propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 259994 |
|---|---|
| CAS | 4254-14-2 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:28972 |
| MDL Number | MFCD00066248 |
| SMILES | CC(CO)O |
| Synonym | r---1,2-propanediol,r-propane-1,2-diol,2r-propane-1,2-diol,r-1,2-propanediol,r-propylene glycol,2r-1,2-propanediol,r---1,2-dihydroxypropane,unii-602hn5l69h |
| IUPAC Name | (2R)-propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-GSVOUGTGSA-N |
| Molecular Formula | C3H8O2 |
Polyethylene Glycol Monostearate (n=approx. 55) (palmitate and stearate mixture), TCI America™
CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.537 MDL Number: MFCD00148007 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 9004-99-3 |
| Molecular Weight (g/mol) | 328.537 |
| MDL Number | MFCD00148007 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |