Organooxygen compounds
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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 |
Ethyl 2-Hydroxyisobutyrate 98.0+%, TCI America™
CAS: 80-55-7 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004458 InChI Key: GFUIDHWFLMPAGY-UHFFFAOYSA-N Synonym: ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate PubChem CID: 6653 IUPAC Name: ethyl 2-hydroxy-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)O
| PubChem CID | 6653 |
|---|---|
| CAS | 80-55-7 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00004458 |
| SMILES | CCOC(=O)C(C)(C)O |
| Synonym | ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate |
| IUPAC Name | ethyl 2-hydroxy-2-methylpropanoate |
| InChI Key | GFUIDHWFLMPAGY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
2-Hydroxy-5-methylisophthalaldehyde 98.0+%, TCI America™
CAS: 7310-95-4 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00016596 InChI Key: ZBOUXALQDLLARY-UHFFFAOYSA-N Synonym: 2-hydroxy-5-methylisophthalaldehyde,2,6-diformyl-4-methylphenol,1,3-benzenedicarboxaldehyde, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedicarboxaldehyde,2-hydroxy-5-methylisophthalaldehyd,acmc-209opk,2-hydroxy-5-methylisophthaldehyde,2-hydroxy-5-methylisophtalaldehyde,2-hydroxy-5-methyl-benzene-1,3-dicarbaldehyde,5-methyl-2-hydroxy-1,3-benzenedicarboxaldehyde PubChem CID: 81744 IUPAC Name: 2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde SMILES: CC1=CC(=C(C(=C1)C=O)O)C=O
| PubChem CID | 81744 |
|---|---|
| CAS | 7310-95-4 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00016596 |
| SMILES | CC1=CC(=C(C(=C1)C=O)O)C=O |
| Synonym | 2-hydroxy-5-methylisophthalaldehyde,2,6-diformyl-4-methylphenol,1,3-benzenedicarboxaldehyde, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedicarboxaldehyde,2-hydroxy-5-methylisophthalaldehyd,acmc-209opk,2-hydroxy-5-methylisophthaldehyde,2-hydroxy-5-methylisophtalaldehyde,2-hydroxy-5-methyl-benzene-1,3-dicarbaldehyde,5-methyl-2-hydroxy-1,3-benzenedicarboxaldehyde |
| IUPAC Name | 2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde |
| InChI Key | ZBOUXALQDLLARY-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
5-Hydroxy-2-pentanone (mixture of monomer and dimer) 96.0+%, TCI America™
CAS: 1071-73-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002961 InChI Key: JSHPTIGHEWEXRW-UHFFFAOYSA-N Synonym: 3-Acetyl-1-propanol PubChem CID: 14066 IUPAC Name: 5-hydroxypentan-2-one SMILES: CC(=O)CCCO
| PubChem CID | 14066 |
|---|---|
| CAS | 1071-73-4 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00002961 |
| SMILES | CC(=O)CCCO |
| Synonym | 3-Acetyl-1-propanol |
| IUPAC Name | 5-hydroxypentan-2-one |
| InChI Key | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
N-[(1R,3S)-3-Hydroxy-1-(hydroxymethyl)-3-phenylpropyl]dodecanamide 98.0+%, TCI America™
CAS: 383418-30-2 Molecular Formula: C22H37NO3 Molecular Weight (g/mol): 363.54 MDL Number: MFCD29472535 InChI Key: YCAKBKAOFSILDC-UHFFFAOYNA-N Synonym: HPA-12, N-[(2R,4S)-1,4-Dihydroxy-4-phenylbutan-2-yl]dodecanamide PubChem CID: 11079004 IUPAC Name: N-(1,4-dihydroxy-4-phenylbutan-2-yl)dodecanamide SMILES: CCCCCCCCCCCC(=O)NC(CO)CC(O)C1=CC=CC=C1
| PubChem CID | 11079004 |
|---|---|
| CAS | 383418-30-2 |
| Molecular Weight (g/mol) | 363.54 |
| MDL Number | MFCD29472535 |
| SMILES | CCCCCCCCCCCC(=O)NC(CO)CC(O)C1=CC=CC=C1 |
| Synonym | HPA-12, N-[(2R,4S)-1,4-Dihydroxy-4-phenylbutan-2-yl]dodecanamide |
| IUPAC Name | N-(1,4-dihydroxy-4-phenylbutan-2-yl)dodecanamide |
| InChI Key | YCAKBKAOFSILDC-UHFFFAOYNA-N |
| Molecular Formula | C22H37NO3 |
Isobutyraldehyde Diethyl Acetal 96.0+%, TCI America™
CAS: 1741-41-9 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00059384 InChI Key: KZDFOVZPOBSHDH-UHFFFAOYSA-N Synonym: 1,1-Diethoxyisobutane PubChem CID: 519415 IUPAC Name: 1,1-diethoxy-2-methylpropane SMILES: CCOC(C(C)C)OCC
| PubChem CID | 519415 |
|---|---|
| CAS | 1741-41-9 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00059384 |
| SMILES | CCOC(C(C)C)OCC |
| Synonym | 1,1-Diethoxyisobutane |
| IUPAC Name | 1,1-diethoxy-2-methylpropane |
| InChI Key | KZDFOVZPOBSHDH-UHFFFAOYSA-N |
| Molecular Formula | C8H18O2 |
4,5-Bis(hydroxymethyl)imidazole 98.0+%, TCI America™
CAS: 33457-48-6 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00191661 InChI Key: AGJXDKGTTMVHOU-UHFFFAOYSA-N Synonym: 1H-Imidazole-4,5-dimethanol PubChem CID: 573629 IUPAC Name: [5-(hydroxymethyl)-1H-imidazol-4-yl]methanol SMILES: OCC1=C(CO)N=CN1
| PubChem CID | 573629 |
|---|---|
| CAS | 33457-48-6 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00191661 |
| SMILES | OCC1=C(CO)N=CN1 |
| Synonym | 1H-Imidazole-4,5-dimethanol |
| IUPAC Name | [5-(hydroxymethyl)-1H-imidazol-4-yl]methanol |
| InChI Key | AGJXDKGTTMVHOU-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O2 |
3-Hydroxy-1-adamantaneacetic Acid 97.0+%, TCI America™
CAS: 17768-36-4 Molecular Formula: C12H17O3 Molecular Weight (g/mol): 209.27 MDL Number: MFCD00167797 InChI Key: JFMDWSCOQLUOCZ-LRSDLPTKSA-M Synonym: 2-3-hydroxyadamantan-1-yl acetic acid,3-hydroxy-adamantan-1-yl-acetic acid,3-hydroxy-1-adamantyl acetic acid,3-hydroxy-1-adamantaneacetic acid,2-3-hydroxy-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 decane-1-acetic acid, 3-hydroxy,3-hydroxyadamantane-1-acetic acid,2-3-hydroxyadamantanyl acetic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ dec-1-yl acetic acid,1-hydroxy-3-adamantaneacetic acid PubChem CID: 429307 IUPAC Name: 2-[(5R,7S)-3-hydroxyadamantan-1-yl]acetate SMILES: OC12C[C@@H]3C[C@H](C1)CC(CC([O-])=O)(C3)C2
| PubChem CID | 429307 |
|---|---|
| CAS | 17768-36-4 |
| Molecular Weight (g/mol) | 209.27 |
| MDL Number | MFCD00167797 |
| SMILES | OC12C[C@@H]3C[C@H](C1)CC(CC([O-])=O)(C3)C2 |
| Synonym | 2-3-hydroxyadamantan-1-yl acetic acid,3-hydroxy-adamantan-1-yl-acetic acid,3-hydroxy-1-adamantyl acetic acid,3-hydroxy-1-adamantaneacetic acid,2-3-hydroxy-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 decane-1-acetic acid, 3-hydroxy,3-hydroxyadamantane-1-acetic acid,2-3-hydroxyadamantanyl acetic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ dec-1-yl acetic acid,1-hydroxy-3-adamantaneacetic acid |
| IUPAC Name | 2-[(5R,7S)-3-hydroxyadamantan-1-yl]acetate |
| InChI Key | JFMDWSCOQLUOCZ-LRSDLPTKSA-M |
| Molecular Formula | C12H17O3 |
3-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 606488-94-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 InChI Key: JBZDHFKPEDWWJC-UHFFFAOYSA-N PubChem CID: 5255726 IUPAC Name: 3-hydroxycyclohexane-1-carboxylic acid SMILES: C1CC(CC(C1)O)C(=O)O
| PubChem CID | 5255726 |
|---|---|
| CAS | 606488-94-2 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | C1CC(CC(C1)O)C(=O)O |
| IUPAC Name | 3-hydroxycyclohexane-1-carboxylic acid |
| InChI Key | JBZDHFKPEDWWJC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
4-Sulfocalix[4]arene Hydrate 94.0+%, TCI America™
CAS: 112269-92-8 Molecular Formula: C28H24O16S4 Molecular Weight (g/mol): 744.724 MDL Number: MFCD03095486 InChI Key: JFYBCAFLVNKHHG-UHFFFAOYSA-N Synonym: Tetrahydroxycalix[4]arenetetrasulfonic Acid, Tetrasulfo(tetrahydroxy)calix[4]arene PubChem CID: 644084 SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O
| PubChem CID | 644084 |
|---|---|
| CAS | 112269-92-8 |
| Molecular Weight (g/mol) | 744.724 |
| MDL Number | MFCD03095486 |
| SMILES | C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O |
| Synonym | Tetrahydroxycalix[4]arenetetrasulfonic Acid, Tetrasulfo(tetrahydroxy)calix[4]arene |
| InChI Key | JFYBCAFLVNKHHG-UHFFFAOYSA-N |
| Molecular Formula | C28H24O16S4 |
6-Fluoro-4-chromanone 98.0+%, TCI America™
CAS: 66892-34-0 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00038654 InChI Key: SWBBIJZMIGAZHW-UHFFFAOYSA-N Synonym: 6-fluorochroman-4-one,6-fluoro-4-chromanone,6-fluorochromanone,6-fluoro-2,3-dihydro-4h-1-benzopyran-4-one,6-fluorochromano-4-one,6-fluoro-3,4-dihydro-2h-1-benzopyran-4-one,6-fluoro-2,3-dihydro-4h-chromen-4-one,6-fluoro-4-oxochroman,6-fluoro-2,3-dihydro-1-benzopyran-4-one,4h-1-benzopyran-4-one, 6-fluoro-2,3-dihydro PubChem CID: 2733262 IUPAC Name: 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one SMILES: FC1=CC=C2OCCC(=O)C2=C1
| PubChem CID | 2733262 |
|---|---|
| CAS | 66892-34-0 |
| Molecular Weight (g/mol) | 166.15 |
| MDL Number | MFCD00038654 |
| SMILES | FC1=CC=C2OCCC(=O)C2=C1 |
| Synonym | 6-fluorochroman-4-one,6-fluoro-4-chromanone,6-fluorochromanone,6-fluoro-2,3-dihydro-4h-1-benzopyran-4-one,6-fluorochromano-4-one,6-fluoro-3,4-dihydro-2h-1-benzopyran-4-one,6-fluoro-2,3-dihydro-4h-chromen-4-one,6-fluoro-4-oxochroman,6-fluoro-2,3-dihydro-1-benzopyran-4-one,4h-1-benzopyran-4-one, 6-fluoro-2,3-dihydro |
| IUPAC Name | 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one |
| InChI Key | SWBBIJZMIGAZHW-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO2 |
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 |
Vanillin 98.0+%, TCI America™
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-(2-Hydroxyethyl)pyrrole 99.0+%, TCI America™
CAS: 6719-02-4 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00191451 InChI Key: ZIOLCZCJJJNOEJ-UHFFFAOYSA-N PubChem CID: 10975438 IUPAC Name: 2-pyrrol-1-ylethanol SMILES: C1=CN(C=C1)CCO
| PubChem CID | 10975438 |
|---|---|
| CAS | 6719-02-4 |
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD00191451 |
| SMILES | C1=CN(C=C1)CCO |
| IUPAC Name | 2-pyrrol-1-ylethanol |
| InChI Key | ZIOLCZCJJJNOEJ-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO |