Organooxygen compounds
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Pifithrin-alpha, p-Nitro hydrobromide, Thermo Scientific Chemicals
CAS: 389850-21-9 Molecular Formula: C15H16BrN3O3S Molecular Weight (g/mol): 398.275 MDL Number: MFCD00398180 InChI Key: NXPCMOGORSWOLH-UHFFFAOYSA-N Synonym: pifithrin-alpha, p-nitro,1-4-nitrophenyl-2-4,5,6,7-tetrahydro-2-imino-3 2h-benzothiazolyl ethanone, hbr,pifithrin-alpha, p-nitro hydrobromide,2-2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl-1-4-nitrophenyl ethanone hydrobromide,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hbr,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hydrobromide PubChem CID: 11553038 IUPAC Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide SMILES: C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br
| PubChem CID | 11553038 |
|---|---|
| CAS | 389850-21-9 |
| Molecular Weight (g/mol) | 398.275 |
| MDL Number | MFCD00398180 |
| SMILES | C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br |
| Synonym | pifithrin-alpha, p-nitro,1-4-nitrophenyl-2-4,5,6,7-tetrahydro-2-imino-3 2h-benzothiazolyl ethanone, hbr,pifithrin-alpha, p-nitro hydrobromide,2-2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl-1-4-nitrophenyl ethanone hydrobromide,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hbr,2-2-imino-4,5,6,7-tetrahydrobenzo d thiazol-3 2h-yl-1-4-nitrophenyl ethanone hydrobromide |
| IUPAC Name | 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide |
| InChI Key | NXPCMOGORSWOLH-UHFFFAOYSA-N |
| Molecular Formula | C15H16BrN3O3S |
4-Hydroxybenzaldehyde, 98%
CAS: 123-08-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00006939 InChI Key: RGHHSNMVTDWUBI-UHFFFAOYSA-N Synonym: p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde PubChem CID: 126 ChEBI: CHEBI:17597 IUPAC Name: 4-hydroxybenzaldehyde SMILES: C1=CC(=CC=C1C=O)O
| PubChem CID | 126 |
|---|---|
| CAS | 123-08-0 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:17597 |
| MDL Number | MFCD00006939 |
| SMILES | C1=CC(=CC=C1C=O)O |
| Synonym | p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde |
| IUPAC Name | 4-hydroxybenzaldehyde |
| InChI Key | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Chroman-8-carboxylic acid, 97%, Thermo Scientific™
CAS: 31457-16-6 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD12198122 InChI Key: LOFOWPRKKPHPDW-UHFFFAOYSA-N Synonym: chroman-8-carboxylic acid,3,4-dihydro-2h-1-benzopyran-8-carboxylic acid,chromane-8-carboxylic acid PubChem CID: 12701138 IUPAC Name: 3,4-dihydro-2H-chromene-8-carboxylic acid SMILES: C1CC2=CC=CC(=C2OC1)C(=O)O
| PubChem CID | 12701138 |
|---|---|
| CAS | 31457-16-6 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD12198122 |
| SMILES | C1CC2=CC=CC(=C2OC1)C(=O)O |
| Synonym | chroman-8-carboxylic acid,3,4-dihydro-2h-1-benzopyran-8-carboxylic acid,chromane-8-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-8-carboxylic acid |
| InChI Key | LOFOWPRKKPHPDW-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Indole-2-carboxaldehyde, 97%
CAS: 19005-93-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD03001425 InChI Key: SBNOTUDDIXOFSN-UHFFFAOYSA-N Synonym: indole-2-carboxaldehyde,1h-indole-2-carboxaldehyde,indole-2-carbaldehyde,2-formylindole,2-formyl-1h-indole,1h-indolecarboxaldehyde,unii-r5n9cd7dlm,r5n9cd7dlm,methanol, 2h-indol-2-ylidene-, 1e-9ci,indolaldehyd PubChem CID: 96389 IUPAC Name: 1H-indole-2-carbaldehyde SMILES: O=CC1=CC2=CC=CC=C2N1
| PubChem CID | 96389 |
|---|---|
| CAS | 19005-93-7 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD03001425 |
| SMILES | O=CC1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxaldehyde,1h-indole-2-carboxaldehyde,indole-2-carbaldehyde,2-formylindole,2-formyl-1h-indole,1h-indolecarboxaldehyde,unii-r5n9cd7dlm,r5n9cd7dlm,methanol, 2h-indol-2-ylidene-, 1e-9ci,indolaldehyd |
| IUPAC Name | 1H-indole-2-carbaldehyde |
| InChI Key | SBNOTUDDIXOFSN-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Mesityl Oxide, Approx. 98%, Spectrum™ Chemical
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CAS: 141-79-7 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.15 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(C)=CC(C)=O
| CAS | 141-79-7 |
|---|---|
| Molecular Weight (g/mol) | 98.15 |
| SMILES | CC(C)=CC(C)=O |
| IUPAC Name | 4-methylpent-3-en-2-one |
| InChI Key | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
2,4-Dichloro-6,7-dimethoxyquinazoline, 97%
CAS: 27631-29-4 MDL Number: MFCD00051733 InChI Key: DGHKCBSVAZXEPP-UHFFFAOYSA-N PubChem CID: 520327 IUPAC Name: 2,4-dichloro-6,7-dimethoxyquinazoline SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OC
| PubChem CID | 520327 |
|---|---|
| CAS | 27631-29-4 |
| MDL Number | MFCD00051733 |
| SMILES | COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OC |
| IUPAC Name | 2,4-dichloro-6,7-dimethoxyquinazoline |
| InChI Key | DGHKCBSVAZXEPP-UHFFFAOYSA-N |
1-Ethynylcyclohexanol, 99%
CAS: 78-27-3 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.183 MDL Number: MFCD00003858 InChI Key: QYLFHLNFIHBCPR-UHFFFAOYSA-N Synonym: 1-ethynyl-1-cyclohexanol,1-ethynylcyclohexanol,ethynylcyclohexanol,cyclohexanol, 1-ethynyl,1-hydroxycyclohexyl ethyne,1-ethynyl-1-hydroxycyclohexane,1-ethynyl cyclohexanol,1-ethynyl-cyclohexanol,unii-6rv04025eh,1-ethynyl-cyclohexan-1-ol PubChem CID: 6525 IUPAC Name: 1-ethynylcyclohexan-1-ol SMILES: C#CC1(CCCCC1)O
| PubChem CID | 6525 |
|---|---|
| CAS | 78-27-3 |
| Molecular Weight (g/mol) | 124.183 |
| MDL Number | MFCD00003858 |
| SMILES | C#CC1(CCCCC1)O |
| Synonym | 1-ethynyl-1-cyclohexanol,1-ethynylcyclohexanol,ethynylcyclohexanol,cyclohexanol, 1-ethynyl,1-hydroxycyclohexyl ethyne,1-ethynyl-1-hydroxycyclohexane,1-ethynyl cyclohexanol,1-ethynyl-cyclohexanol,unii-6rv04025eh,1-ethynyl-cyclohexan-1-ol |
| IUPAC Name | 1-ethynylcyclohexan-1-ol |
| InChI Key | QYLFHLNFIHBCPR-UHFFFAOYSA-N |
| Molecular Formula | C8H12O |
4-Chromanone, 98+%
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O
| PubChem CID | 68110 |
|---|---|
| CAS | 491-37-2 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00006840 |
| SMILES | C1COC2=CC=CC=C2C1=O |
| Synonym | 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone |
| IUPAC Name | 2,3-dihydrochromen-4-one |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
3-[3-(Dimethylamino)propoxy]benzaldehyde, 95%, Thermo Scientific™
CAS: 26815-13-4 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 MDL Number: MFCD09064988 InChI Key: CMVPGTWBRBJOQR-UHFFFAOYSA-N Synonym: 3-3-dimethylamino propoxy benzaldehyde,benzaldehyde,3-3-dimethylamino propoxy,3-3-dimethylamino-propoxy-benzaldehyde,3-3-dimethylaminopropoxy benzaldehyde PubChem CID: 10727031 IUPAC Name: 3-[3-(dimethylamino)propoxy]benzaldehyde SMILES: CN(C)CCCOC1=CC=CC(=C1)C=O
| PubChem CID | 10727031 |
|---|---|
| CAS | 26815-13-4 |
| Molecular Weight (g/mol) | 207.273 |
| MDL Number | MFCD09064988 |
| SMILES | CN(C)CCCOC1=CC=CC(=C1)C=O |
| Synonym | 3-3-dimethylamino propoxy benzaldehyde,benzaldehyde,3-3-dimethylamino propoxy,3-3-dimethylamino-propoxy-benzaldehyde,3-3-dimethylaminopropoxy benzaldehyde |
| IUPAC Name | 3-[3-(dimethylamino)propoxy]benzaldehyde |
| InChI Key | CMVPGTWBRBJOQR-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO2 |
Vanadyl(IV) acetylacetonate, 99%
CAS: 3153-26-2 Molecular Formula: C10H14O5V Molecular Weight (g/mol): 265.16 MDL Number: MFCD00000032 InChI Key: JFHJZWAQYMGNBE-SUKNRPLKSA-L Synonym: vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide PubChem CID: 131674261 IUPAC Name: (Z)-4-oxopent-2-en-2-olate;vanadium(2+);hydrate SMILES: O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 131674261 |
|---|---|
| CAS | 3153-26-2 |
| Molecular Weight (g/mol) | 265.16 |
| MDL Number | MFCD00000032 |
| SMILES | O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide |
| IUPAC Name | (Z)-4-oxopent-2-en-2-olate;vanadium(2+);hydrate |
| InChI Key | JFHJZWAQYMGNBE-SUKNRPLKSA-L |
| Molecular Formula | C10H14O5V |
Diethyl phenylmalonate, 98%
CAS: 83-13-6 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
| PubChem CID | 66514 |
|---|---|
| CAS | 83-13-6 |
| MDL Number | MFCD00009144 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate |
| IUPAC Name | diethyl 2-phenylpropanedioate |
| InChI Key | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
1,4-Dimethoxynaphthalene, 96%
CAS: 10075-62-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD00052378 InChI Key: FWWRTYBQQDXLDD-UHFFFAOYSA-N PubChem CID: 82337 IUPAC Name: 1,4-dimethoxynaphthalene SMILES: COC1=CC=C(C2=CC=CC=C21)OC
| PubChem CID | 82337 |
|---|---|
| CAS | 10075-62-4 |
| Molecular Weight (g/mol) | 188.226 |
| MDL Number | MFCD00052378 |
| SMILES | COC1=CC=C(C2=CC=CC=C21)OC |
| IUPAC Name | 1,4-dimethoxynaphthalene |
| InChI Key | FWWRTYBQQDXLDD-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
Spectrum Chemical Manufacturing Corporation 2,6-Dichloroindophenol Sodium Salt, ACS, Spectrum™ Chemical
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CAS: 620-45-1
| CAS | 620-45-1 |
|---|
6-Fluorochromone-3-carboxaldehyde, 97%
CAS: 69155-76-6 Molecular Formula: C10H5FO3 Molecular Weight (g/mol): 192.15 MDL Number: MFCD00139060 InChI Key: VHRMOTNEBIKURN-UHFFFAOYSA-N Synonym: 6-fluoro-3-formylchromone,6-fluoro-4-oxo-4h-chromene-3-carbaldehyde,6-fluorochromone-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6-fluoro-4-oxo,chembl87768,6-fluoro-4-oxo-chromene-3-carbaldehyde,4h-1-benzopyran-3-carboxaldehyde,6-fluoro-4-oxo,acmc-20alyx,3-formyl-6-fluorochromone,6-fluorochromone-3-carbaldehyde PubChem CID: 688893 IUPAC Name: 6-fluoro-4-oxochromene-3-carbaldehyde SMILES: FC1=CC=C2OC=C(C=O)C(=O)C2=C1
| PubChem CID | 688893 |
|---|---|
| CAS | 69155-76-6 |
| Molecular Weight (g/mol) | 192.15 |
| MDL Number | MFCD00139060 |
| SMILES | FC1=CC=C2OC=C(C=O)C(=O)C2=C1 |
| Synonym | 6-fluoro-3-formylchromone,6-fluoro-4-oxo-4h-chromene-3-carbaldehyde,6-fluorochromone-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6-fluoro-4-oxo,chembl87768,6-fluoro-4-oxo-chromene-3-carbaldehyde,4h-1-benzopyran-3-carboxaldehyde,6-fluoro-4-oxo,acmc-20alyx,3-formyl-6-fluorochromone,6-fluorochromone-3-carbaldehyde |
| IUPAC Name | 6-fluoro-4-oxochromene-3-carbaldehyde |
| InChI Key | VHRMOTNEBIKURN-UHFFFAOYSA-N |
| Molecular Formula | C10H5FO3 |
Benzyl chloromethyl ether, 75%
CAS: 3587-60-8 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000886 InChI Key: LADPCMZCENPFGV-UHFFFAOYSA-N Synonym: benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl PubChem CID: 137983 IUPAC Name: chloromethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCl
| PubChem CID | 137983 |
|---|---|
| CAS | 3587-60-8 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000886 |
| SMILES | C1=CC=C(C=C1)COCCl |
| Synonym | benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl |
| IUPAC Name | chloromethoxymethylbenzene |
| InChI Key | LADPCMZCENPFGV-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |