Organooxygen compounds
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5-Chloro-2-hydroxy-3-methylbenzaldehyde, 95%, Thermo Scientific™
CAS: 23602-63-3 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00275687 InChI Key: NSKZAOKQZDLHGO-UHFFFAOYSA-N Synonym: benzaldehyde, 5-chloro-2-hydroxy-3-methyl,acmc-20am4p,2-hydroxy-3-methyl-5-chlorobenzaldehyde,5-chloro-2-hydroxy-3-methyl-benzaldehyde PubChem CID: 2774358 IUPAC Name: 5-chloro-2-hydroxy-3-methylbenzaldehyde SMILES: CC1=C(C(=CC(=C1)Cl)C=O)O
| PubChem CID | 2774358 |
|---|---|
| CAS | 23602-63-3 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00275687 |
| SMILES | CC1=C(C(=CC(=C1)Cl)C=O)O |
| Synonym | benzaldehyde, 5-chloro-2-hydroxy-3-methyl,acmc-20am4p,2-hydroxy-3-methyl-5-chlorobenzaldehyde,5-chloro-2-hydroxy-3-methyl-benzaldehyde |
| IUPAC Name | 5-chloro-2-hydroxy-3-methylbenzaldehyde |
| InChI Key | NSKZAOKQZDLHGO-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
1-Methylcycloheptanol, 98%, Thermo Scientific Chemicals
CAS: 3761-94-2 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00021672 InChI Key: XFFKAYOHINCUNU-UHFFFAOYSA-N Synonym: 1-methylcycloheptanol,cycloheptanol, 1-methyl,1-methylcycloheptanol-1,1-methyl-cycloheptanol,methylcycloheptanol-1,1-methyl cycloheptanol,cycloheptanol,1-methyl PubChem CID: 77376 IUPAC Name: 1-methylcycloheptan-1-ol SMILES: CC1(CCCCCC1)O
| PubChem CID | 77376 |
|---|---|
| CAS | 3761-94-2 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00021672 |
| SMILES | CC1(CCCCCC1)O |
| Synonym | 1-methylcycloheptanol,cycloheptanol, 1-methyl,1-methylcycloheptanol-1,1-methyl-cycloheptanol,methylcycloheptanol-1,1-methyl cycloheptanol,cycloheptanol,1-methyl |
| IUPAC Name | 1-methylcycloheptan-1-ol |
| InChI Key | XFFKAYOHINCUNU-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
Pyrrole-2-carboxaldehyde, 99%
CAS: 1003-29-8 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.101 MDL Number: MFCD00005217 InChI Key: ZSKGQVFRTSEPJT-UHFFFAOYSA-N Synonym: pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde PubChem CID: 13854 ChEBI: CHEBI:59978 IUPAC Name: 1H-pyrrole-2-carbaldehyde SMILES: C1=CNC(=C1)C=O
| PubChem CID | 13854 |
|---|---|
| CAS | 1003-29-8 |
| Molecular Weight (g/mol) | 95.101 |
| ChEBI | CHEBI:59978 |
| MDL Number | MFCD00005217 |
| SMILES | C1=CNC(=C1)C=O |
| Synonym | pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde |
| IUPAC Name | 1H-pyrrole-2-carbaldehyde |
| InChI Key | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)bismuth(III), 99.9%
CAS: 142617-53-6 Molecular Formula: C33H57BiO6 Molecular Weight (g/mol): 758.793 MDL Number: MFCD00064763 InChI Key: ZNHBPQSSVCRFST-LWTKGLMZSA-K Synonym: tris 2,2,6,6-tetramethyl-3,5-heptanedionato bismuth iii,bismuth iii tetramethylheptanedionate,4z-5-bis 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy bismuthanyl oxy-2,2,6,6-tetramethylhept-4-en-3-one PubChem CID: 16717622 IUPAC Name: (Z)-5-bis[[(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl]oxy]bismuthanyloxy-2,2,6,6-tetramethylhept-4-en-3-one SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O[Bi](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C
| PubChem CID | 16717622 |
|---|---|
| CAS | 142617-53-6 |
| Molecular Weight (g/mol) | 758.793 |
| MDL Number | MFCD00064763 |
| SMILES | CC(C)(C)C(=CC(=O)C(C)(C)C)O[Bi](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C |
| Synonym | tris 2,2,6,6-tetramethyl-3,5-heptanedionato bismuth iii,bismuth iii tetramethylheptanedionate,4z-5-bis 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy bismuthanyl oxy-2,2,6,6-tetramethylhept-4-en-3-one |
| IUPAC Name | (Z)-5-bis[[(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl]oxy]bismuthanyloxy-2,2,6,6-tetramethylhept-4-en-3-one |
| InChI Key | ZNHBPQSSVCRFST-LWTKGLMZSA-K |
| Molecular Formula | C33H57BiO6 |
6-Methoxy-3-pyridinecarboxaldehyde, 97%
CAS: 65873-72-5 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD02683446 InChI Key: CTAIEPPAOULMFY-UHFFFAOYSA-N Synonym: 6-methoxynicotinaldehyde,6-methoxy-3-pyridinecarboxaldehyde,5-formyl-2-methoxypyridine,2-methoxypyridine-5-carboxaldehyde,5-formyl-2-methoxy-pyridine,6-methoxy-pyridine-3-carbaldehyde,6-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methoxy,6-methoxy-3-nicotinaldehyde,pubchem5152 PubChem CID: 3364576 IUPAC Name: 6-methoxypyridine-3-carbaldehyde SMILES: COC1=CC=C(C=O)C=N1
| PubChem CID | 3364576 |
|---|---|
| CAS | 65873-72-5 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD02683446 |
| SMILES | COC1=CC=C(C=O)C=N1 |
| Synonym | 6-methoxynicotinaldehyde,6-methoxy-3-pyridinecarboxaldehyde,5-formyl-2-methoxypyridine,2-methoxypyridine-5-carboxaldehyde,5-formyl-2-methoxy-pyridine,6-methoxy-pyridine-3-carbaldehyde,6-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methoxy,6-methoxy-3-nicotinaldehyde,pubchem5152 |
| IUPAC Name | 6-methoxypyridine-3-carbaldehyde |
| InChI Key | CTAIEPPAOULMFY-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
6-(Bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine, 97%, Thermo Scientific™
CAS: 499770-96-6 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD05664399 InChI Key: QDRNTKFXSFDJCH-UHFFFAOYSA-N Synonym: 6-bromomethyl-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin, 6-bromomethyl-3,4-dihydro,6-bromomethyl-3,4-dihydro-1,5-benzodioxepin,6-bromomethyl-2h,3h,4h-benzo b 1,4-dioxepin PubChem CID: 2794992 IUPAC Name: 6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine SMILES: BrCC1=C2OCCCOC2=CC=C1
| PubChem CID | 2794992 |
|---|---|
| CAS | 499770-96-6 |
| Molecular Weight (g/mol) | 243.10 |
| MDL Number | MFCD05664399 |
| SMILES | BrCC1=C2OCCCOC2=CC=C1 |
| Synonym | 6-bromomethyl-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin, 6-bromomethyl-3,4-dihydro,6-bromomethyl-3,4-dihydro-1,5-benzodioxepin,6-bromomethyl-2h,3h,4h-benzo b 1,4-dioxepin |
| IUPAC Name | 6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | QDRNTKFXSFDJCH-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO2 |
Dimethyl malonate, 99+%
CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC
| PubChem CID | 7943 |
|---|---|
| CAS | 108-59-8 |
| Molecular Weight (g/mol) | 132.12 |
| MDL Number | MFCD00008460 |
| SMILES | COC(=O)CC(=O)OC |
| Synonym | dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester |
| IUPAC Name | dimethyl propanedioate |
| InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
Thenoyltrifluoroacetone, MP Biomedicals™
CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
1-Dimethylamino-but-1-en-3-one, 98%
CAS: 2802-08-6 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00142611 InChI Key: QPWSKIGAQZAJKS-SNAWJCMRSA-N Synonym: e-4-dimethylamino but-3-en-2-one,trans-4-dimethylamino-3-buten-2-one,4-dimethylamino but-3-en-2-one,3e-4-dimethylamino but-3-en-2-one,1-dimethylamino-but-1-en-3-one,4-dimethylamino-3-buten-2-one,3e-4-dimethylamino-3-buten-2-one,3-buten-2-one, 4-dimethylamino-, 3e,3-buten-2-one, 4-dimethylamino,3-buten-2-one, 4-dimethylamino-, 3e-9ci PubChem CID: 5369152 IUPAC Name: (E)-4-(dimethylamino)but-3-en-2-one SMILES: CC(=O)C=CN(C)C
| PubChem CID | 5369152 |
|---|---|
| CAS | 2802-08-6 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00142611 |
| SMILES | CC(=O)C=CN(C)C |
| Synonym | e-4-dimethylamino but-3-en-2-one,trans-4-dimethylamino-3-buten-2-one,4-dimethylamino but-3-en-2-one,3e-4-dimethylamino but-3-en-2-one,1-dimethylamino-but-1-en-3-one,4-dimethylamino-3-buten-2-one,3e-4-dimethylamino-3-buten-2-one,3-buten-2-one, 4-dimethylamino-, 3e,3-buten-2-one, 4-dimethylamino,3-buten-2-one, 4-dimethylamino-, 3e-9ci |
| IUPAC Name | (E)-4-(dimethylamino)but-3-en-2-one |
| InChI Key | QPWSKIGAQZAJKS-SNAWJCMRSA-N |
| Molecular Formula | C6H11NO |
Isobutyraldehyde, 98%
CAS: 78-84-2 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00006980 InChI Key: AMIMRNSIRUDHCM-UHFFFAOYSA-N Synonym: isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde PubChem CID: 6561 ChEBI: CHEBI:48943 IUPAC Name: 2-methylpropanal SMILES: CC(C)C=O
| PubChem CID | 6561 |
|---|---|
| CAS | 78-84-2 |
| Molecular Weight (g/mol) | 72.11 |
| ChEBI | CHEBI:48943 |
| MDL Number | MFCD00006980 |
| SMILES | CC(C)C=O |
| Synonym | isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde |
| IUPAC Name | 2-methylpropanal |
| InChI Key | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
4-oxo-4-(2-thienyl)butanoic acid, Thermo Scientific™
CAS: 4653-08-1 Molecular Formula: C8H8O3S Molecular Weight (g/mol): 184.21 InChI Key: ULJMYWHLMLRYSO-UHFFFAOYSA-N Synonym: 3-2-thenoyl propionic acid,4-oxo-4-thiophen-2-yl butanoic acid,4-oxo-4-2-thienyl butanoic acid,4-oxo-4-2-thienyl butyric acid,3-2-thenoyl propanoic acid,4-thien-2-yl-4-oxobutyric acid,4-oxo-4-thien-2-yl butyric acid,4-thien-2-yl-4-oxobutanoic acid,4-oxo-4-thien-2-yl butanoic acid,4-oxo-4-thiophen-2-yl-butyric acid PubChem CID: 78385 ChEBI: CHEBI:64434 IUPAC Name: 4-oxo-4-thiophen-2-ylbutanoic acid SMILES: C1=CSC(=C1)C(=O)CCC(=O)O
| PubChem CID | 78385 |
|---|---|
| CAS | 4653-08-1 |
| Molecular Weight (g/mol) | 184.21 |
| ChEBI | CHEBI:64434 |
| SMILES | C1=CSC(=C1)C(=O)CCC(=O)O |
| Synonym | 3-2-thenoyl propionic acid,4-oxo-4-thiophen-2-yl butanoic acid,4-oxo-4-2-thienyl butanoic acid,4-oxo-4-2-thienyl butyric acid,3-2-thenoyl propanoic acid,4-thien-2-yl-4-oxobutyric acid,4-oxo-4-thien-2-yl butyric acid,4-thien-2-yl-4-oxobutanoic acid,4-oxo-4-thien-2-yl butanoic acid,4-oxo-4-thiophen-2-yl-butyric acid |
| IUPAC Name | 4-oxo-4-thiophen-2-ylbutanoic acid |
| InChI Key | ULJMYWHLMLRYSO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3S |
tert-Butyl Alcohol, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O
| PubChem CID | 6386 |
|---|---|
| CAS | 75-65-0 |
| Molecular Weight (g/mol) | 74.123 |
| ChEBI | CHEBI:45895 |
| SMILES | CC(C)(C)O |
| Synonym | tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol |
| IUPAC Name | 2-methylpropan-2-ol |
| InChI Key | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
Ascorbyl Palmitate, FCC, 95%, Spectrum™ Chemical
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CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N IUPAC Name: 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| CAS | 137-66-6 |
|---|---|
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| IUPAC Name | 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |
3-Amino-1-methyl-1H-pyrazole-4-carbaldehyde, 97%, Thermo Scientific™
CAS: 886851-66-7 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 MDL Number: MFCD00460466 InChI Key: UGWUYEXHMDPAMR-UHFFFAOYSA-N Synonym: 3-amino-1-methyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,3-amino-1-methyl,1h-pyrazole-4-carboxaldehyde, 3-amino-1-methyl,3-amino-1-methyl-1h-pyrazole-4-carboxaldehyde PubChem CID: 18525942 IUPAC Name: 3-amino-1-methylpyrazole-4-carbaldehyde SMILES: CN1C=C(C=O)C(N)=N1
| PubChem CID | 18525942 |
|---|---|
| CAS | 886851-66-7 |
| Molecular Weight (g/mol) | 125.13 |
| MDL Number | MFCD00460466 |
| SMILES | CN1C=C(C=O)C(N)=N1 |
| Synonym | 3-amino-1-methyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,3-amino-1-methyl,1h-pyrazole-4-carboxaldehyde, 3-amino-1-methyl,3-amino-1-methyl-1h-pyrazole-4-carboxaldehyde |
| IUPAC Name | 3-amino-1-methylpyrazole-4-carbaldehyde |
| InChI Key | UGWUYEXHMDPAMR-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O |
Propionaldehyde, 97%
CAS: 123-38-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00007020 InChI Key: NBBJYMSMWIIQGU-UHFFFAOYSA-N Synonym: propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique PubChem CID: 527 ChEBI: CHEBI:17153 IUPAC Name: propanal SMILES: CCC=O
| PubChem CID | 527 |
|---|---|
| CAS | 123-38-6 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:17153 |
| MDL Number | MFCD00007020 |
| SMILES | CCC=O |
| Synonym | propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique |
| IUPAC Name | propanal |
| InChI Key | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |