Organooxygen compounds
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Undecyl Ether, TCI America™
CAS: 43146-97-0 Molecular Formula: C22H46O Molecular Weight (g/mol): 326.609 MDL Number: MFCD00059282 InChI Key: TXYKVMGAIGVXFY-UHFFFAOYSA-N Synonym: Diundecyl Ether PubChem CID: 6451962 IUPAC Name: 1-undecoxyundecane SMILES: CCCCCCCCCCCOCCCCCCCCCCC
| PubChem CID | 6451962 |
|---|---|
| CAS | 43146-97-0 |
| Molecular Weight (g/mol) | 326.609 |
| MDL Number | MFCD00059282 |
| SMILES | CCCCCCCCCCCOCCCCCCCCCCC |
| Synonym | Diundecyl Ether |
| IUPAC Name | 1-undecoxyundecane |
| InChI Key | TXYKVMGAIGVXFY-UHFFFAOYSA-N |
| Molecular Formula | C22H46O |
3-Bromo-4-hydroxybenzaldehyde 98.0+%, TCI America™
CAS: 2973-78-6 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00017348 InChI Key: UOTMHAOCAJROQF-UHFFFAOYSA-N Synonym: benzaldehyde, 3-bromo-4-hydroxy,3-bromo-4-hydroxy-benzaldehyde,4-hydroxy-3-bromobenzaldehyde,pubchem3778,acmc-209hav,2-bromo-4-formylphenol,asischem n48923,3-bromo-4-hydroxybenzaldehye,ksc490m5b,akos akm00117 PubChem CID: 76308 IUPAC Name: 3-bromo-4-hydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C=C1Br
| PubChem CID | 76308 |
|---|---|
| CAS | 2973-78-6 |
| Molecular Weight (g/mol) | 201.02 |
| MDL Number | MFCD00017348 |
| SMILES | OC1=CC=C(C=O)C=C1Br |
| Synonym | benzaldehyde, 3-bromo-4-hydroxy,3-bromo-4-hydroxy-benzaldehyde,4-hydroxy-3-bromobenzaldehyde,pubchem3778,acmc-209hav,2-bromo-4-formylphenol,asischem n48923,3-bromo-4-hydroxybenzaldehye,ksc490m5b,akos akm00117 |
| IUPAC Name | 3-bromo-4-hydroxybenzaldehyde |
| InChI Key | UOTMHAOCAJROQF-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone 96.0+%, TCI America™
CAS: 1691-93-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00143378 InChI Key: XJJDGTPFEFAAMV-UHFFFAOYSA-N Synonym: 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone PubChem CID: 781778 IUPAC Name: 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F
| PubChem CID | 781778 |
|---|---|
| CAS | 1691-93-6 |
| Molecular Weight (g/mol) | 270.211 |
| MDL Number | MFCD00143378 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F |
| Synonym | 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone |
| IUPAC Name | 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one |
| InChI Key | XJJDGTPFEFAAMV-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
2,4,6-Trihydroxybenzaldehyde 98.0+%, TCI America™
CAS: 487-70-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003329 InChI Key: BTQAJGSMXCDDAJ-UHFFFAOYSA-N Synonym: phloroglucinaldehyde,benzaldehyde, 2,4,6-trihydroxy,formylphloroglucinal,phloroglucinolcarboxaldehyde,formylphloroglucinol,phloroglucinol aldehyde,2,4,6-trihydroxy-benzaldehyde,2,4,6-trihydroxybenzaldehyd,pubchem21790,acmc-1ao01 PubChem CID: 68099 IUPAC Name: 2,4,6-trihydroxybenzaldehyde SMILES: OC1=CC(O)=C(C=O)C(O)=C1
| PubChem CID | 68099 |
|---|---|
| CAS | 487-70-7 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00003329 |
| SMILES | OC1=CC(O)=C(C=O)C(O)=C1 |
| Synonym | phloroglucinaldehyde,benzaldehyde, 2,4,6-trihydroxy,formylphloroglucinal,phloroglucinolcarboxaldehyde,formylphloroglucinol,phloroglucinol aldehyde,2,4,6-trihydroxy-benzaldehyde,2,4,6-trihydroxybenzaldehyd,pubchem21790,acmc-1ao01 |
| IUPAC Name | 2,4,6-trihydroxybenzaldehyde |
| InChI Key | BTQAJGSMXCDDAJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
1,1,1-Trichloroacetone 95.0+%, TCI America™
CAS: 918-00-3 Molecular Formula: C3H3Cl3O Molecular Weight (g/mol): 161.41 MDL Number: MFCD00018829 InChI Key: SMZHKGXSEAGRTI-UHFFFAOYSA-N Synonym: 1,1,1-trichloroacetone,trichloroacetone,1,1,1-trichloropropanone,1,1,1-trichloro-2-propanone,2-propanone, 1,1,1-trichloro,2-propanone, trichloro,unii-nw27zg5lda,ccris 7196,alpha,alpha,alpha-trichloroacetone,nw27zg5lda PubChem CID: 13514 IUPAC Name: 1,1,1-trichloropropan-2-one SMILES: CC(=O)C(Cl)(Cl)Cl
| PubChem CID | 13514 |
|---|---|
| CAS | 918-00-3 |
| Molecular Weight (g/mol) | 161.41 |
| MDL Number | MFCD00018829 |
| SMILES | CC(=O)C(Cl)(Cl)Cl |
| Synonym | 1,1,1-trichloroacetone,trichloroacetone,1,1,1-trichloropropanone,1,1,1-trichloro-2-propanone,2-propanone, 1,1,1-trichloro,2-propanone, trichloro,unii-nw27zg5lda,ccris 7196,alpha,alpha,alpha-trichloroacetone,nw27zg5lda |
| IUPAC Name | 1,1,1-trichloropropan-2-one |
| InChI Key | SMZHKGXSEAGRTI-UHFFFAOYSA-N |
| Molecular Formula | C3H3Cl3O |
Amiodarone Hydrochloride 98.0+%, TCI America™
CAS: 19774-82-4 Molecular Formula: C25H30ClI2NO3 Molecular Weight (g/mol): 681.778 MDL Number: MFCD00069204 InChI Key: ITPDYQOUSLNIHG-UHFFFAOYSA-N Synonym: amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron PubChem CID: 441325 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl
| PubChem CID | 441325 |
|---|---|
| CAS | 19774-82-4 |
| Molecular Weight (g/mol) | 681.778 |
| MDL Number | MFCD00069204 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl |
| Synonym | amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron |
| IUPAC Name | (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride |
| InChI Key | ITPDYQOUSLNIHG-UHFFFAOYSA-N |
| Molecular Formula | C25H30ClI2NO3 |
Acrolein Dimethyl Acetal 97.0+%, TCI America™
CAS: 6044-68-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008632 InChI Key: OBWGMYALGNDUNM-UHFFFAOYSA-N Synonym: 3,3-Dimethoxy-1-propene PubChem CID: 80145 IUPAC Name: 3,3-dimethoxyprop-1-ene SMILES: COC(C=C)OC
| PubChem CID | 80145 |
|---|---|
| CAS | 6044-68-4 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00008632 |
| SMILES | COC(C=C)OC |
| Synonym | 3,3-Dimethoxy-1-propene |
| IUPAC Name | 3,3-dimethoxyprop-1-ene |
| InChI Key | OBWGMYALGNDUNM-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Ancymidol 98.0+%, TCI America™
CAS: 12771-68-5 Molecular Formula: C15H16N2O2 Molecular Weight (g/mol): 256.31 MDL Number: MFCD00072501 InChI Key: HUTDUHSNJYTCAR-UHFFFAOYNA-N Synonym: alpha-Cyclopropyl-alpha-(4-methoxyphenyl)-5-pyrimidinemethanol PubChem CID: 25572 ChEBI: CHEBI:73171 IUPAC Name: cyclopropyl(4-methoxyphenyl)(pyrimidin-5-yl)methanol SMILES: COC1=CC=C(C=C1)C(O)(C1CC1)C1=CN=CN=C1
| PubChem CID | 25572 |
|---|---|
| CAS | 12771-68-5 |
| Molecular Weight (g/mol) | 256.31 |
| ChEBI | CHEBI:73171 |
| MDL Number | MFCD00072501 |
| SMILES | COC1=CC=C(C=C1)C(O)(C1CC1)C1=CN=CN=C1 |
| Synonym | alpha-Cyclopropyl-alpha-(4-methoxyphenyl)-5-pyrimidinemethanol |
| IUPAC Name | cyclopropyl(4-methoxyphenyl)(pyrimidin-5-yl)methanol |
| InChI Key | HUTDUHSNJYTCAR-UHFFFAOYNA-N |
| Molecular Formula | C15H16N2O2 |
4-tert-Butylcalix[5]arene 98.0+%, TCI America™
CAS: 81475-22-1 Molecular Formula: C55H70O5 Molecular Weight (g/mol): 811.16 MDL Number: MFCD00210028 InChI Key: HTJNUHSOASZVHV-UHFFFAOYSA-N Synonym: 4-tert-butylcalix 5 arene,p-tert-butylcalix 5 arene,penta-tert-butyl pentahydroxy calix 5 arene PubChem CID: 2725100 SMILES: CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)O
| PubChem CID | 2725100 |
|---|---|
| CAS | 81475-22-1 |
| Molecular Weight (g/mol) | 811.16 |
| MDL Number | MFCD00210028 |
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)O |
| Synonym | 4-tert-butylcalix 5 arene,p-tert-butylcalix 5 arene,penta-tert-butyl pentahydroxy calix 5 arene |
| InChI Key | HTJNUHSOASZVHV-UHFFFAOYSA-N |
| Molecular Formula | C55H70O5 |
18-Crown 6-Ether 98.0+%, TCI America™
CAS: 17455-13-9 Molecular Formula: C12H24O6 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00005113 InChI Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N Synonym: 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane PubChem CID: 28557 ChEBI: CHEBI:32397 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane SMILES: C1COCCOCCOCCOCCOCCO1
| PubChem CID | 28557 |
|---|---|
| CAS | 17455-13-9 |
| Molecular Weight (g/mol) | 264.32 |
| ChEBI | CHEBI:32397 |
| MDL Number | MFCD00005113 |
| SMILES | C1COCCOCCOCCOCCOCCO1 |
| Synonym | 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Molecular Formula | C12H24O6 |
L-Kynurenine Hydrate 98.0+%, TCI America™
CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
| PubChem CID | 161166 |
|---|---|
| CAS | 2922-83-0 |
| Molecular Weight (g/mol) | 208.22 |
| ChEBI | CHEBI:16946 |
| MDL Number | MFCD00069912 |
| SMILES | N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O |
| Synonym | l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid |
| IUPAC Name | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| InChI Key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| Molecular Formula | C10H12N2O3 |
2,2-Dimethyl-1-propanol 98.0+%, TCI America™
CAS: 75-84-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004682 InChI Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N Synonym: neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol PubChem CID: 6404 IUPAC Name: 2,2-dimethylpropan-1-ol SMILES: CC(C)(C)CO
| PubChem CID | 6404 |
|---|---|
| CAS | 75-84-3 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00004682 |
| SMILES | CC(C)(C)CO |
| Synonym | neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol |
| IUPAC Name | 2,2-dimethylpropan-1-ol |
| InChI Key | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Oxalacetic Acid 97.0+%, TCI America™
CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.071 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O
| PubChem CID | 970 |
|---|---|
| CAS | 328-42-7 |
| Molecular Weight (g/mol) | 132.071 |
| ChEBI | CHEBI:30744 |
| MDL Number | MFCD00002592 |
| SMILES | C(C(=O)C(=O)O)C(=O)O |
| Synonym | oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate |
| IUPAC Name | 2-oxobutanedioic acid |
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
| Molecular Formula | C4H4O5 |
Haloperidol 98.0+%, TCI America™
CAS: 52-86-8 Molecular Formula: C21H23ClFNO2 Molecular Weight (g/mol): 375.87 MDL Number: MFCD00051423 InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N Synonym: haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol PubChem CID: 3559 ChEBI: CHEBI:5613 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
| PubChem CID | 3559 |
|---|---|
| CAS | 52-86-8 |
| Molecular Weight (g/mol) | 375.87 |
| ChEBI | CHEBI:5613 |
| MDL Number | MFCD00051423 |
| SMILES | OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
| Synonym | haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol |
| IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| InChI Key | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
| Molecular Formula | C21H23ClFNO2 |
(R,R)-(+)-Hydrobenzoin 99.0+%, TCI America™
CAS: 52340-78-0 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00064254 InChI Key: IHPDTPWNFBQHEB-ZIAGYGMSSA-N Synonym: r,r-+-hydrobenzoin,1r,2r-1,2-diphenylethane-1,2-diol,r,r-hydrobenzoin,+-hydrobenzoin,unii-wv0i33nond,+-1r,2r-1,2-diphenylethane-1,2-diol,wv0i33nond,isohydrobenzoin,1,2-ethanediol, 1,2-diphenyl-, 1r,2r-rel,+-dihydrobenzoin PubChem CID: 853019 ChEBI: CHEBI:50014 IUPAC Name: (1R,2R)-1,2-diphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O
| PubChem CID | 853019 |
|---|---|
| CAS | 52340-78-0 |
| Molecular Weight (g/mol) | 214.264 |
| ChEBI | CHEBI:50014 |
| MDL Number | MFCD00064254 |
| SMILES | C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O |
| Synonym | r,r-+-hydrobenzoin,1r,2r-1,2-diphenylethane-1,2-diol,r,r-hydrobenzoin,+-hydrobenzoin,unii-wv0i33nond,+-1r,2r-1,2-diphenylethane-1,2-diol,wv0i33nond,isohydrobenzoin,1,2-ethanediol, 1,2-diphenyl-, 1r,2r-rel,+-dihydrobenzoin |
| IUPAC Name | (1R,2R)-1,2-diphenylethane-1,2-diol |
| InChI Key | IHPDTPWNFBQHEB-ZIAGYGMSSA-N |
| Molecular Formula | C14H14O2 |