Organooxygen compounds
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2-Cyano-6-methoxybenzothiazole 97.0+%, TCI America™
CAS: 943-03-3 Molecular Formula: C9H6N2OS Molecular Weight (g/mol): 190.22 MDL Number: MFCD00010537 InChI Key: DEWDWBYQOFXKIH-UHFFFAOYSA-N Synonym: 2-cyano-6-methoxybenzothiazole,6-methoxybenzo d thiazole-2-carbonitrile,6-methoxy-2-benzothiazolecarbonitrile,6-methoxybenzothiazole-2-carbonitrile,6-methoxy-benzothiazole-2-carbonitrile,6-methoxy-2-cyano-benzothiazole,2-benzothiazolecarbonitrile, 6-methoxy,pubchem9766,acmc-209rr8,ksc486m5p PubChem CID: 342109 IUPAC Name: 6-methoxy-1,3-benzothiazole-2-carbonitrile SMILES: COC1=CC2=C(C=C1)N=C(S2)C#N
| PubChem CID | 342109 |
|---|---|
| CAS | 943-03-3 |
| Molecular Weight (g/mol) | 190.22 |
| MDL Number | MFCD00010537 |
| SMILES | COC1=CC2=C(C=C1)N=C(S2)C#N |
| Synonym | 2-cyano-6-methoxybenzothiazole,6-methoxybenzo d thiazole-2-carbonitrile,6-methoxy-2-benzothiazolecarbonitrile,6-methoxybenzothiazole-2-carbonitrile,6-methoxy-benzothiazole-2-carbonitrile,6-methoxy-2-cyano-benzothiazole,2-benzothiazolecarbonitrile, 6-methoxy,pubchem9766,acmc-209rr8,ksc486m5p |
| IUPAC Name | 6-methoxy-1,3-benzothiazole-2-carbonitrile |
| InChI Key | DEWDWBYQOFXKIH-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2OS |
3'-Fluoroacetophenone 97.0+%, TCI America™
CAS: 455-36-7 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD00000338 InChI Key: HCEKGPAHZCYRBZ-UHFFFAOYSA-N Synonym: 3'-fluoroacetophenone,1-3-fluorophenyl ethanone,3-fluoroacetophenone,m-fluoroacetophenone,ethanone, 1-3-fluorophenyl,1-3-fluorophenyl ethan-1-one,acetophenone, 3'-fluoro,3'-fluoro-acetophenone,1-acetyl-3-fluorobenzene PubChem CID: 9967 IUPAC Name: 1-(3-fluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=CC(F)=C1
| PubChem CID | 9967 |
|---|---|
| CAS | 455-36-7 |
| Molecular Weight (g/mol) | 138.14 |
| MDL Number | MFCD00000338 |
| SMILES | CC(=O)C1=CC=CC(F)=C1 |
| Synonym | 3'-fluoroacetophenone,1-3-fluorophenyl ethanone,3-fluoroacetophenone,m-fluoroacetophenone,ethanone, 1-3-fluorophenyl,1-3-fluorophenyl ethan-1-one,acetophenone, 3'-fluoro,3'-fluoro-acetophenone,1-acetyl-3-fluorobenzene |
| IUPAC Name | 1-(3-fluorophenyl)ethan-1-one |
| InChI Key | HCEKGPAHZCYRBZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
5'-Bromo-2'-hydroxypropiophenone 98.0+%, TCI America™
CAS: 17764-93-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00218577 InChI Key: NDXLYRKTHTZXRC-UHFFFAOYSA-N PubChem CID: 736409 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(Br)=CC=C1O
| PubChem CID | 736409 |
|---|---|
| CAS | 17764-93-1 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00218577 |
| SMILES | CCC(=O)C1=CC(Br)=CC=C1O |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)propan-1-one |
| InChI Key | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4'-Aminoacetophenone Hydrochloride 98.0+%, TCI America™
CAS: 41784-08-1 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00060232 InChI Key: LCYIZBVMHJGJGP-UHFFFAOYSA-N PubChem CID: 23333831 IUPAC Name: 1-(4-aminophenyl)ethan-1-one hydrochloride SMILES: Cl.CC(=O)C1=CC=C(N)C=C1
| PubChem CID | 23333831 |
|---|---|
| CAS | 41784-08-1 |
| Molecular Weight (g/mol) | 171.62 |
| MDL Number | MFCD00060232 |
| SMILES | Cl.CC(=O)C1=CC=C(N)C=C1 |
| IUPAC Name | 1-(4-aminophenyl)ethan-1-one hydrochloride |
| InChI Key | LCYIZBVMHJGJGP-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO |
3-Methyl-3-buten-2-one (stabilized with HQ) 95.0+%, TCI America™
CAS: 814-78-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00059207 InChI Key: ZGHFDIIVVIFNPS-UHFFFAOYSA-N Synonym: Isopropenyl Methyl Ketone PubChem CID: 13143 IUPAC Name: 3-methylbut-3-en-2-one SMILES: CC(=C)C(=O)C
| PubChem CID | 13143 |
|---|---|
| CAS | 814-78-8 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00059207 |
| SMILES | CC(=C)C(=O)C |
| Synonym | Isopropenyl Methyl Ketone |
| IUPAC Name | 3-methylbut-3-en-2-one |
| InChI Key | ZGHFDIIVVIFNPS-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
4'-Fluoro-3'-methylacetophenone 98.0+%, TCI America™
CAS: 369-32-4 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD04972879 InChI Key: SMSVMBMJEYTUOZ-UHFFFAOYSA-N PubChem CID: 289328 IUPAC Name: 1-(4-fluoro-3-methylphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(C)=C1
| PubChem CID | 289328 |
|---|---|
| CAS | 369-32-4 |
| Molecular Weight (g/mol) | 152.17 |
| MDL Number | MFCD04972879 |
| SMILES | CC(=O)C1=CC=C(F)C(C)=C1 |
| IUPAC Name | 1-(4-fluoro-3-methylphenyl)ethan-1-one |
| InChI Key | SMSVMBMJEYTUOZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
5-Methyl-2,3-hexanedione 94.0+%, TCI America™
CAS: 13706-86-0 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00059352 InChI Key: PQCLJXVUAWLNSV-UHFFFAOYSA-N Synonym: Acetylisovaleryl PubChem CID: 26204 IUPAC Name: 5-methylhexane-2,3-dione SMILES: CC(C)CC(=O)C(C)=O
| PubChem CID | 26204 |
|---|---|
| CAS | 13706-86-0 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00059352 |
| SMILES | CC(C)CC(=O)C(C)=O |
| Synonym | Acetylisovaleryl |
| IUPAC Name | 5-methylhexane-2,3-dione |
| InChI Key | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
2'-Hydroxy-4'-methoxypropiophenone 98.0+%, TCI America™
CAS: 6270-44-6 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD04037453 InChI Key: MAKZPFSTXDXNJN-UHFFFAOYSA-N PubChem CID: 234836 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(OC)C=C1O
| PubChem CID | 234836 |
|---|---|
| CAS | 6270-44-6 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD04037453 |
| SMILES | CCC(=O)C1=CC=C(OC)C=C1O |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)propan-1-one |
| InChI Key | MAKZPFSTXDXNJN-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Tributyl Orthoformate 95.0+%, TCI America™
CAS: 588-43-2 Molecular Formula: C13H28O3 Molecular Weight (g/mol): 232.364 MDL Number: MFCD00015250 InChI Key: SGJBIFUEFLWXJY-UHFFFAOYSA-N Synonym: tributyl orthoformate,1-dibutoxymethoxy butane,tri-n-butyl orthoformate,tributoxymethane,orthoformic acid butyl ester,orthoformic acid tributyl ester,orthoformic acid, tributyl ester,butane, 1,1',1-methylidynetris oxy tris,1,1',1-methylidynetris oxy tributane PubChem CID: 68521 IUPAC Name: 1-(dibutoxymethoxy)butane SMILES: CCCCOC(OCCCC)OCCCC
| PubChem CID | 68521 |
|---|---|
| CAS | 588-43-2 |
| Molecular Weight (g/mol) | 232.364 |
| MDL Number | MFCD00015250 |
| SMILES | CCCCOC(OCCCC)OCCCC |
| Synonym | tributyl orthoformate,1-dibutoxymethoxy butane,tri-n-butyl orthoformate,tributoxymethane,orthoformic acid butyl ester,orthoformic acid tributyl ester,orthoformic acid, tributyl ester,butane, 1,1',1-methylidynetris oxy tris,1,1',1-methylidynetris oxy tributane |
| IUPAC Name | 1-(dibutoxymethoxy)butane |
| InChI Key | SGJBIFUEFLWXJY-UHFFFAOYSA-N |
| Molecular Formula | C13H28O3 |
Bis(hexafluoroacetylacetonato)manganese(II) Hydrate 95.0+%, TCI America™
CAS: 19648-86-3 Molecular Formula: C10H4F12MnO4 Molecular Weight (g/mol): 471.06 MDL Number: MFCD00042513 InChI Key: DMABZFSNYKYMMQ-UHFFFAOYSA-N Synonym: Hexafluoroacetylacetono Manganese(II) Salt, Manganese(II) Hexafluoroacetylacetonate PubChem CID: 91658961 IUPAC Name: bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one) manganese SMILES: [Mn].OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F
| PubChem CID | 91658961 |
|---|---|
| CAS | 19648-86-3 |
| Molecular Weight (g/mol) | 471.06 |
| MDL Number | MFCD00042513 |
| SMILES | [Mn].OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F |
| Synonym | Hexafluoroacetylacetono Manganese(II) Salt, Manganese(II) Hexafluoroacetylacetonate |
| IUPAC Name | bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one) manganese |
| InChI Key | DMABZFSNYKYMMQ-UHFFFAOYSA-N |
| Molecular Formula | C10H4F12MnO4 |
Benzyl DL-Mandelate 98.0+%, TCI America™
CAS: 890-98-2 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00021856 InChI Key: JFKWZVQEMSKSBU-UHFFFAOYSA-N Synonym: DL-Mandelic Acid Benzyl Ester PubChem CID: 13461 IUPAC Name: benzyl 2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 13461 |
|---|---|
| CAS | 890-98-2 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00021856 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | DL-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl 2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
5-Methoxy-2-methylbenzothiazole 98.0+%, TCI America™
CAS: 2941-69-7 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 MDL Number: MFCD00082664 InChI Key: SAQMNBWVOKYKPZ-UHFFFAOYSA-N PubChem CID: 76252 IUPAC Name: 5-methoxy-2-methyl-1,3-benzothiazole SMILES: COC1=CC=C2SC(C)=NC2=C1
| PubChem CID | 76252 |
|---|---|
| CAS | 2941-69-7 |
| Molecular Weight (g/mol) | 179.24 |
| MDL Number | MFCD00082664 |
| SMILES | COC1=CC=C2SC(C)=NC2=C1 |
| IUPAC Name | 5-methoxy-2-methyl-1,3-benzothiazole |
| InChI Key | SAQMNBWVOKYKPZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NOS |
Ethyl 3-Oxo-3-(pyrazin-2-yl)propionate 98.0+%, TCI America™
CAS: 62124-77-0 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD04114374 InChI Key: OPBDMDPBJKVMNL-UHFFFAOYSA-N Synonym: 3-Oxo-3-(pyrazin-2-yl)propionic Acid Ethyl Ester PubChem CID: 6454349 IUPAC Name: ethyl 3-oxo-3-pyrazin-2-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=NC=CN=C1
| PubChem CID | 6454349 |
|---|---|
| CAS | 62124-77-0 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD04114374 |
| SMILES | CCOC(=O)CC(=O)C1=NC=CN=C1 |
| Synonym | 3-Oxo-3-(pyrazin-2-yl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxo-3-pyrazin-2-ylpropanoate |
| InChI Key | OPBDMDPBJKVMNL-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O3 |
1-(2-Naphthyl)ethanol 98.0+%, TCI America™
CAS: 7228-47-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004111 InChI Key: AXRKCRWZRKETCK-UHFFFAOYSA-N Synonym: 1-2-naphthyl ethanol,1-naphthalen-2-yl ethanol,+/--1-2-naphthyl ethanol,1-naphthalen-2-yl ethan-1-ol,alpha-methylnaphthalene-2-methanol,.alpha.-methyl-2-naphthalenemethanol,pubchem9427,acmc-209gxz,acmc-1azul,methyl 2-naphtylcarbinol PubChem CID: 98243 IUPAC Name: 1-naphthalen-2-ylethanol SMILES: CC(C1=CC2=CC=CC=C2C=C1)O
| PubChem CID | 98243 |
|---|---|
| CAS | 7228-47-9 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00004111 |
| SMILES | CC(C1=CC2=CC=CC=C2C=C1)O |
| Synonym | 1-2-naphthyl ethanol,1-naphthalen-2-yl ethanol,+/--1-2-naphthyl ethanol,1-naphthalen-2-yl ethan-1-ol,alpha-methylnaphthalene-2-methanol,.alpha.-methyl-2-naphthalenemethanol,pubchem9427,acmc-209gxz,acmc-1azul,methyl 2-naphtylcarbinol |
| IUPAC Name | 1-naphthalen-2-ylethanol |
| InChI Key | AXRKCRWZRKETCK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
Sodium (Trihydroxy)phenylborate 98.0+%, TCI America™
CAS: 52542-80-0 Molecular Formula: C6H8BNaO3 Molecular Weight (g/mol): 161.927 InChI Key: ZNXSFEXRXNJDNK-UHFFFAOYSA-N PubChem CID: 44629933 IUPAC Name: sodium;trihydroxy(phenyl)boranuide SMILES: [B-](C1=CC=CC=C1)(O)(O)O.[Na+]
| PubChem CID | 44629933 |
|---|---|
| CAS | 52542-80-0 |
| Molecular Weight (g/mol) | 161.927 |
| SMILES | [B-](C1=CC=CC=C1)(O)(O)O.[Na+] |
| IUPAC Name | sodium;trihydroxy(phenyl)boranuide |
| InChI Key | ZNXSFEXRXNJDNK-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNaO3 |