Organooxygen compounds
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Atrolactic Acid Hydrate 98.0+%, TCI America™
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CAS: 515-30-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004451 InChI Key: NWCHELUCVWSRRS-UHFFFAOYSA-N Synonym: atrolactic acid,2-phenyllactic acid,2-hydroxy-2-phenylpropionic acid,alpha-methylmandelic acid,phenyllactic acid,2-phenyl-2-hydroxypropionic acid,dl-atrolactic acid,alpha-hydroxy-alpha-phenylpropionic acid,mandelic acid, .alpha.-methyl,benzeneacetic acid, .alpha.-hydroxy-.alpha.-methyl PubChem CID: 1303 ChEBI: CHEBI:50392 IUPAC Name: 2-hydroxy-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)(C(=O)O)O
| PubChem CID | 1303 |
|---|---|
| CAS | 515-30-0 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:50392 |
| MDL Number | MFCD00004451 |
| SMILES | CC(C1=CC=CC=C1)(C(=O)O)O |
| Synonym | atrolactic acid,2-phenyllactic acid,2-hydroxy-2-phenylpropionic acid,alpha-methylmandelic acid,phenyllactic acid,2-phenyl-2-hydroxypropionic acid,dl-atrolactic acid,alpha-hydroxy-alpha-phenylpropionic acid,mandelic acid, .alpha.-methyl,benzeneacetic acid, .alpha.-hydroxy-.alpha.-methyl |
| IUPAC Name | 2-hydroxy-2-phenylpropanoic acid |
| InChI Key | NWCHELUCVWSRRS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Ethylcyclohexanol (cis- and trans- mixture) 97.0+%, TCI America™
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CAS: 3760-20-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00001445 InChI Key: CFYUBZHJDXXXQE-UHFFFAOYSA-N PubChem CID: 19576 IUPAC Name: 2-ethylcyclohexan-1-ol SMILES: CCC1CCCCC1O
| PubChem CID | 19576 |
|---|---|
| CAS | 3760-20-1 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00001445 |
| SMILES | CCC1CCCCC1O |
| IUPAC Name | 2-ethylcyclohexan-1-ol |
| InChI Key | CFYUBZHJDXXXQE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
1,3-Bis(methylthio)-2-methoxypropane 97.0+%, TCI America™
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CAS: 31805-84-2 Molecular Formula: C6H14OS2 Molecular Weight (g/mol): 166.297 MDL Number: MFCD00026040 InChI Key: MOISORXUYSHXRU-UHFFFAOYSA-N Synonym: 1,3-bis methylthio-2-methoxypropane,2-methoxy-1,3-bis methylsulfanyl propane,2-methoxy-1,3-bis methylthio propane,1,3-bis-methylthio-2-methoxypropane,propane, 2-methoxy-1,3-bis methylthio,acmc-1cktt,moisorxuyshxru-uhfffaoysa,propane,2-methoxy-1,3-bis methylthio,2-methoxy-1,3-bis methylsulfanyl-propane,2-methoxy-1,3-bis methylsulfanyl propane # PubChem CID: 520544 IUPAC Name: 2-methoxy-1,3-bis(methylsulfanyl)propane SMILES: COC(CSC)CSC
| PubChem CID | 520544 |
|---|---|
| CAS | 31805-84-2 |
| Molecular Weight (g/mol) | 166.297 |
| MDL Number | MFCD00026040 |
| SMILES | COC(CSC)CSC |
| Synonym | 1,3-bis methylthio-2-methoxypropane,2-methoxy-1,3-bis methylsulfanyl propane,2-methoxy-1,3-bis methylthio propane,1,3-bis-methylthio-2-methoxypropane,propane, 2-methoxy-1,3-bis methylthio,acmc-1cktt,moisorxuyshxru-uhfffaoysa,propane,2-methoxy-1,3-bis methylthio,2-methoxy-1,3-bis methylsulfanyl-propane,2-methoxy-1,3-bis methylsulfanyl propane # |
| IUPAC Name | 2-methoxy-1,3-bis(methylsulfanyl)propane |
| InChI Key | MOISORXUYSHXRU-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS2 |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)praseodymium(III) 98.0+%, TCI America™
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CAS: 15492-48-5 Molecular Formula: C33H57O6Pr Molecular Weight (g/mol): 690.72 MDL Number: MFCD00000027,MFCD00000027 InChI Key: HDONDLBRVFKILD-UHFFFAOYSA-K Synonym: pr dpm 3,praseodymium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate PubChem CID: 53384607 IUPAC Name: praseodymium(3+) tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) SMILES: [Pr+3].CC(C)(C)C([O-])=CC(=O)C(C)(C)C.CC(C)(C)C([O-])=CC(=O)C(C)(C)C.CC(C)(C)C([O-])=CC(=O)C(C)(C)C
| PubChem CID | 53384607 |
|---|---|
| CAS | 15492-48-5 |
| Molecular Weight (g/mol) | 690.72 |
| MDL Number | MFCD00000027,MFCD00000027 |
| SMILES | [Pr+3].CC(C)(C)C([O-])=CC(=O)C(C)(C)C.CC(C)(C)C([O-])=CC(=O)C(C)(C)C.CC(C)(C)C([O-])=CC(=O)C(C)(C)C |
| Synonym | pr dpm 3,praseodymium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate |
| IUPAC Name | praseodymium(3+) tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) |
| InChI Key | HDONDLBRVFKILD-UHFFFAOYSA-K |
| Molecular Formula | C33H57O6Pr |
meso-alpha,beta-Di(4-pyridyl) Glycol 98.0+%, TCI America™
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CAS: 4972-49-0 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 MDL Number: MFCD00023627 InChI Key: DHKSJSQSVHHBPH-TXEJJXNPSA-N Synonym: meso-1,2-Bis(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl)-1,2-ethanediol PubChem CID: 12785626 IUPAC Name: (1R,2S)-1,2-dipyridin-4-ylethane-1,2-diol SMILES: C1=CN=CC=C1C(C(C2=CC=NC=C2)O)O
| PubChem CID | 12785626 |
|---|---|
| CAS | 4972-49-0 |
| Molecular Weight (g/mol) | 216.24 |
| MDL Number | MFCD00023627 |
| SMILES | C1=CN=CC=C1C(C(C2=CC=NC=C2)O)O |
| Synonym | meso-1,2-Bis(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl) Glycol, meso-1,2-Di(4-pyridyl)-1,2-ethanediol |
| IUPAC Name | (1R,2S)-1,2-dipyridin-4-ylethane-1,2-diol |
| InChI Key | DHKSJSQSVHHBPH-TXEJJXNPSA-N |
| Molecular Formula | C12H12N2O2 |
Methyl Propyl Ether 95.0+%, TCI America™
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CAS: 557-17-5 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00059399 InChI Key: VNKYTQGIUYNRMY-UHFFFAOYSA-N Synonym: 1-Methoxypropane PubChem CID: 11182 IUPAC Name: 1-methoxypropane SMILES: CCCOC
| PubChem CID | 11182 |
|---|---|
| CAS | 557-17-5 |
| Molecular Weight (g/mol) | 74.12 |
| MDL Number | MFCD00059399 |
| SMILES | CCCOC |
| Synonym | 1-Methoxypropane |
| IUPAC Name | 1-methoxypropane |
| InChI Key | VNKYTQGIUYNRMY-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
Methyl 2-Chloroacetoacetate 95.0+%, TCI America™
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CAS: 4755-81-1 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.558 MDL Number: MFCD00008757 InChI Key: GYQRIAVRKLRQKP-UHFFFAOYSA-N PubChem CID: 107332 IUPAC Name: methyl 2-chloro-3-oxobutanoate SMILES: CC(=O)C(C(=O)OC)Cl
| PubChem CID | 107332 |
|---|---|
| CAS | 4755-81-1 |
| Molecular Weight (g/mol) | 150.558 |
| MDL Number | MFCD00008757 |
| SMILES | CC(=O)C(C(=O)OC)Cl |
| IUPAC Name | methyl 2-chloro-3-oxobutanoate |
| InChI Key | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
1,3-Adamantanediol 98.0+%, TCI America™
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CAS: 5001-18-3 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00154013 InChI Key: MOLCWHCSXCKHAP-UHFFFAOYSA-N Synonym: 1,3-Dihydroxyadamantane PubChem CID: 573829 IUPAC Name: adamantane-1,3-diol SMILES: C1C2CC3(CC1CC(C2)(C3)O)O
| PubChem CID | 573829 |
|---|---|
| CAS | 5001-18-3 |
| Molecular Weight (g/mol) | 168.236 |
| MDL Number | MFCD00154013 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)O)O |
| Synonym | 1,3-Dihydroxyadamantane |
| IUPAC Name | adamantane-1,3-diol |
| InChI Key | MOLCWHCSXCKHAP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2 |
(S)-(-)-1-(1-Naphthyl)ethanol 97.0+%, TCI America™
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CAS: 15914-84-8 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00077831 InChI Key: CDRQOYRPWJULJN-VIFPVBQESA-N Synonym: s---1-1-naphthyl ethanol,s-1-naphthalen-1-yl-ethanol,s-1-naphthalen-1-yl ethanol,s---1-1-naphtyl ethanol,1s-1-naphthalen-1-yl ethan-1-ol,s-1-1-naphthyl ethanol,s---alpha-methyl-1-naphthalenemethanol,1s-1-naphthalen-1-ylethanol,1s-1-naphthalen-1-yl ethanol,s-+-alpha-methyl-1-naphthalenemethanol PubChem CID: 6976566 IUPAC Name: (1S)-1-naphthalen-1-ylethanol SMILES: CC(C1=CC=CC2=CC=CC=C21)O
| PubChem CID | 6976566 |
|---|---|
| CAS | 15914-84-8 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00077831 |
| SMILES | CC(C1=CC=CC2=CC=CC=C21)O |
| Synonym | s---1-1-naphthyl ethanol,s-1-naphthalen-1-yl-ethanol,s-1-naphthalen-1-yl ethanol,s---1-1-naphtyl ethanol,1s-1-naphthalen-1-yl ethan-1-ol,s-1-1-naphthyl ethanol,s---alpha-methyl-1-naphthalenemethanol,1s-1-naphthalen-1-ylethanol,1s-1-naphthalen-1-yl ethanol,s-+-alpha-methyl-1-naphthalenemethanol |
| IUPAC Name | (1S)-1-naphthalen-1-ylethanol |
| InChI Key | CDRQOYRPWJULJN-VIFPVBQESA-N |
| Molecular Formula | C12H12O |
2'-Hydroxy-4'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 552-41-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008730 InChI Key: UILPJVPSNHJFIK-UHFFFAOYSA-N Synonym: paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum PubChem CID: 11092 ChEBI: CHEBI:69581 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
| PubChem CID | 11092 |
|---|---|
| CAS | 552-41-0 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:69581 |
| MDL Number | MFCD00008730 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)O |
| Synonym | paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)ethanone |
| InChI Key | UILPJVPSNHJFIK-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
trans-2-Butene-1,4-diol 95.0+%, TCI America™
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CAS: 821-11-4 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00063207 InChI Key: ORTVZLZNOYNASJ-OWOJBTEDSA-N Synonym: trans-1,4-Dihydroxy-2-butene PubChem CID: 175854 IUPAC Name: (E)-but-2-ene-1,4-diol SMILES: C(C=CCO)O
| PubChem CID | 175854 |
|---|---|
| CAS | 821-11-4 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00063207 |
| SMILES | C(C=CCO)O |
| Synonym | trans-1,4-Dihydroxy-2-butene |
| IUPAC Name | (E)-but-2-ene-1,4-diol |
| InChI Key | ORTVZLZNOYNASJ-OWOJBTEDSA-N |
| Molecular Formula | C4H8O2 |
1,2-Indandione 98.0+%, TCI America™
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CAS: 16214-27-0 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00463378 InChI Key: WFFZGYRTVIPBFN-UHFFFAOYSA-N Synonym: 1h-indene-1,2 3h-dione,1,2-indanedione,indan-1,2-dione,1,2-indandione,indandione,2,3-dihydro-1h-indene-1,2-dione,indane dione,acmc-20a7vb,d01xgp PubChem CID: 123358 IUPAC Name: 3H-indene-1,2-dione SMILES: C1C2=CC=CC=C2C(=O)C1=O
| PubChem CID | 123358 |
|---|---|
| CAS | 16214-27-0 |
| Molecular Weight (g/mol) | 146.145 |
| MDL Number | MFCD00463378 |
| SMILES | C1C2=CC=CC=C2C(=O)C1=O |
| Synonym | 1h-indene-1,2 3h-dione,1,2-indanedione,indan-1,2-dione,1,2-indandione,indandione,2,3-dihydro-1h-indene-1,2-dione,indane dione,acmc-20a7vb,d01xgp |
| IUPAC Name | 3H-indene-1,2-dione |
| InChI Key | WFFZGYRTVIPBFN-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
(4-Acetylphenoxy)acetic Acid 98.0+%, TCI America™
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CAS: 1878-81-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00014363 InChI Key: KMXZEXUYXUMHEQ-UHFFFAOYSA-N Synonym: 4-acetylphenoxyacetic acid,2-4-acetylphenoxy acetic acid,4-acetylphenoxy acetic acid,p-acetylphenoxy acetic acid,p-acetylphenoxyacetic acid,chembl84623,4-acetyl-phenoxy-acetic acid,acetic acid, 4-acetylphenoxy,acetic acid,2-4-acetylphenoxy PubChem CID: 74655 IUPAC Name: 2-(4-acetylphenoxy)acetic acid SMILES: CC(=O)C1=CC=C(OCC(O)=O)C=C1
| PubChem CID | 74655 |
|---|---|
| CAS | 1878-81-5 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00014363 |
| SMILES | CC(=O)C1=CC=C(OCC(O)=O)C=C1 |
| Synonym | 4-acetylphenoxyacetic acid,2-4-acetylphenoxy acetic acid,4-acetylphenoxy acetic acid,p-acetylphenoxy acetic acid,p-acetylphenoxyacetic acid,chembl84623,4-acetyl-phenoxy-acetic acid,acetic acid, 4-acetylphenoxy,acetic acid,2-4-acetylphenoxy |
| IUPAC Name | 2-(4-acetylphenoxy)acetic acid |
| InChI Key | KMXZEXUYXUMHEQ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Molsidomine 98.0+%, TCI America™
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CAS: 25717-80-0 Molecular Formula: C9H14N4O4 Molecular Weight (g/mol): 242.235 MDL Number: MFCD00869301 InChI Key: XLFWDASMENKTKL-UHFFFAOYSA-N PubChem CID: 5353788 IUPAC Name: (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate SMILES: CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]
| PubChem CID | 5353788 |
|---|---|
| CAS | 25717-80-0 |
| Molecular Weight (g/mol) | 242.235 |
| MDL Number | MFCD00869301 |
| SMILES | CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-] |
| IUPAC Name | (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate |
| InChI Key | XLFWDASMENKTKL-UHFFFAOYSA-N |
| Molecular Formula | C9H14N4O4 |
1,5-Dioxepan-2-one 98.0+%, TCI America™
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CAS: 35438-57-4 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 InChI Key: AOLNDUQWRUPYGE-UHFFFAOYSA-N PubChem CID: 193214 IUPAC Name: 1,4-dioxepan-5-one SMILES: C1COCCOC1=O
| PubChem CID | 193214 |
|---|---|
| CAS | 35438-57-4 |
| Molecular Weight (g/mol) | 116.116 |
| SMILES | C1COCCOC1=O |
| IUPAC Name | 1,4-dioxepan-5-one |
| InChI Key | AOLNDUQWRUPYGE-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |