Organooxygen compounds
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10-Bromo-1-decanol, 95%
CAS: 53463-68-6 Molecular Formula: C10H21BrO Molecular Weight (g/mol): 237.18 MDL Number: MFCD00041681 InChI Key: LGZMUUBPTDRQQM-UHFFFAOYSA-N Synonym: 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p PubChem CID: 104507 IUPAC Name: 10-bromodecan-1-ol SMILES: OCCCCCCCCCCBr
| PubChem CID | 104507 |
|---|---|
| CAS | 53463-68-6 |
| Molecular Weight (g/mol) | 237.18 |
| MDL Number | MFCD00041681 |
| SMILES | OCCCCCCCCCCBr |
| Synonym | 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p |
| IUPAC Name | 10-bromodecan-1-ol |
| InChI Key | LGZMUUBPTDRQQM-UHFFFAOYSA-N |
| Molecular Formula | C10H21BrO |
Mono-Ethyl malonate, 95%
CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.11 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O
| PubChem CID | 70615 |
|---|---|
| CAS | 1071-46-1 |
| Molecular Weight (g/mol) | 132.11 |
| ChEBI | CHEBI:86907 |
| MDL Number | MFCD00020490 |
| SMILES | CCOC(=O)CC(=O)O |
| Synonym | ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate |
| IUPAC Name | 3-ethoxy-3-oxopropanoic acid |
| InChI Key | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
5-Methoxypsoralen, 98%
CAS: 484-20-8 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 InChI Key: BGEBZHIAGXMEMV-UHFFFAOYSA-N Synonym: bergapten,5-methoxypsoralen,bergaptene,heraclin,majudin,4-methoxy-7h-furo 3,2-g chromen-7-one,bergaptan,psoraderm,5-mop,o-methylbergaptol PubChem CID: 2355 ChEBI: CHEBI:18293 IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
| PubChem CID | 2355 |
|---|---|
| CAS | 484-20-8 |
| Molecular Weight (g/mol) | 216.19 |
| ChEBI | CHEBI:18293 |
| SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| Synonym | bergapten,5-methoxypsoralen,bergaptene,heraclin,majudin,4-methoxy-7h-furo 3,2-g chromen-7-one,bergaptan,psoraderm,5-mop,o-methylbergaptol |
| IUPAC Name | 4-methoxyfuro[3,2-g]chromen-7-one |
| InChI Key | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| Molecular Formula | C12H8O4 |
2,2,3,3-Tetrafluorocyclobutanol, 95%
CAS: 374-32-3 Molecular Formula: C4H4F4O Molecular Weight (g/mol): 144.069 MDL Number: MFCD00190085 InChI Key: FNENUTDUAXPVTF-UHFFFAOYSA-N Synonym: 2,2,3,3-tetrafluorocyclobutanol,cyclobutanol, 2,2,3,3-tetrafluoro,cyclobutanol,2,2,3,3-tetrafluoro PubChem CID: 2776621 IUPAC Name: 2,2,3,3-tetrafluorocyclobutan-1-ol SMILES: C1C(C(C1(F)F)(F)F)O
| PubChem CID | 2776621 |
|---|---|
| CAS | 374-32-3 |
| Molecular Weight (g/mol) | 144.069 |
| MDL Number | MFCD00190085 |
| SMILES | C1C(C(C1(F)F)(F)F)O |
| Synonym | 2,2,3,3-tetrafluorocyclobutanol,cyclobutanol, 2,2,3,3-tetrafluoro,cyclobutanol,2,2,3,3-tetrafluoro |
| IUPAC Name | 2,2,3,3-tetrafluorocyclobutan-1-ol |
| InChI Key | FNENUTDUAXPVTF-UHFFFAOYSA-N |
| Molecular Formula | C4H4F4O |
1-Benzofuran-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 10035-16-2 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD03411182 InChI Key: LLLBDLDNTMMZHL-UHFFFAOYSA-N Synonym: benzofuran-5-carbaldehyde,5-formylbenzofuran,5-benzofurancarboxaldehyde,benzofuran-5-carboxaldehyde,5-formyl-1-benzofuran,5-formylbenzo b furan,benzo b furan-5-carboxaldehyde,1-benzofuran-5-carboxaldehyde,benzo b furan-5-carbaldehyde PubChem CID: 2773875 IUPAC Name: 1-benzofuran-5-carbaldehyde SMILES: C1=CC2=C(C=CO2)C=C1C=O
| PubChem CID | 2773875 |
|---|---|
| CAS | 10035-16-2 |
| Molecular Weight (g/mol) | 146.145 |
| MDL Number | MFCD03411182 |
| SMILES | C1=CC2=C(C=CO2)C=C1C=O |
| Synonym | benzofuran-5-carbaldehyde,5-formylbenzofuran,5-benzofurancarboxaldehyde,benzofuran-5-carboxaldehyde,5-formyl-1-benzofuran,5-formylbenzo b furan,benzo b furan-5-carboxaldehyde,1-benzofuran-5-carboxaldehyde,benzo b furan-5-carbaldehyde |
| IUPAC Name | 1-benzofuran-5-carbaldehyde |
| InChI Key | LLLBDLDNTMMZHL-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
2-(2-Ethoxyethoxy) Ethyl Acetate, 99%, Spectrum™ Chemical
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CAS: 112-15-2 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 InChI Key: FPZWZCWUIYYYBU-UHFFFAOYSA-N IUPAC Name: 2-(2-ethoxyethoxy)ethyl acetate SMILES: CCOCCOCCOC(C)=O
| CAS | 112-15-2 |
|---|---|
| Molecular Weight (g/mol) | 176.21 |
| SMILES | CCOCCOCCOC(C)=O |
| IUPAC Name | 2-(2-ethoxyethoxy)ethyl acetate |
| InChI Key | FPZWZCWUIYYYBU-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
Benzoylacetonitrile, 98+%
CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Methyl 4-(1-hydroxyethyl)benzoate, 90%, tech.
CAS: 79322-76-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00216476 InChI Key: KAXLTAULVFFCNL-UHFFFAOYSA-N PubChem CID: 586417 IUPAC Name: methyl 4-(1-hydroxyethyl)benzoate SMILES: CC(C1=CC=C(C=C1)C(=O)OC)O
| PubChem CID | 586417 |
|---|---|
| CAS | 79322-76-2 |
| Molecular Weight (g/mol) | 180.2 |
| MDL Number | MFCD00216476 |
| SMILES | CC(C1=CC=C(C=C1)C(=O)OC)O |
| IUPAC Name | methyl 4-(1-hydroxyethyl)benzoate |
| InChI Key | KAXLTAULVFFCNL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
6-Methyl-3,5-heptadiene-2-one, 96%, Thermo Scientific™
CAS: 1604-28-0 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.18 InChI Key: KSKXSFZGARKWOW-GQCTYLIASA-N Synonym: 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 PubChem CID: 5370101 IUPAC Name: (3E)-6-methylhepta-3,5-dien-2-one SMILES: CC(=CC=CC(=O)C)C
| PubChem CID | 5370101 |
|---|---|
| CAS | 1604-28-0 |
| Molecular Weight (g/mol) | 124.18 |
| SMILES | CC(=CC=CC(=O)C)C |
| Synonym | 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 |
| IUPAC Name | (3E)-6-methylhepta-3,5-dien-2-one |
| InChI Key | KSKXSFZGARKWOW-GQCTYLIASA-N |
| Molecular Formula | C8H12O |
N-Phenacylpyridinium bromide, 97%, Thermo Scientific™
CAS: 16883-69-5 Molecular Formula: C13H12BrNO Molecular Weight (g/mol): 278.15 InChI Key: PXSUMUYPXZEXDT-UHFFFAOYSA-M Synonym: 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide PubChem CID: 2798954 IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]
| PubChem CID | 2798954 |
|---|---|
| CAS | 16883-69-5 |
| Molecular Weight (g/mol) | 278.15 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-] |
| Synonym | 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide |
| IUPAC Name | 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide |
| InChI Key | PXSUMUYPXZEXDT-UHFFFAOYSA-M |
| Molecular Formula | C13H12BrNO |
Indole-4-methanol, 97%, Thermo Scientific™
CAS: 1074-85-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD01632220 InChI Key: BVSGXWCTWBZFEV-UHFFFAOYSA-N Synonym: indole-4-methanol,1h-indol-4-yl methanol,1h-indole-4-methanol,4-hydroxymethylindole,4-hydroxymethyl-1h-indole,indol-4-ylmethan-1-ol,pubchem7973,4-hydroxymethyl indole,4-hydroxymethyl-indole,acmc-2098wi PubChem CID: 2773457 IUPAC Name: 1H-indol-4-ylmethanol SMILES: OCC1=C2C=CNC2=CC=C1
| PubChem CID | 2773457 |
|---|---|
| CAS | 1074-85-7 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD01632220 |
| SMILES | OCC1=C2C=CNC2=CC=C1 |
| Synonym | indole-4-methanol,1h-indol-4-yl methanol,1h-indole-4-methanol,4-hydroxymethylindole,4-hydroxymethyl-1h-indole,indol-4-ylmethan-1-ol,pubchem7973,4-hydroxymethyl indole,4-hydroxymethyl-indole,acmc-2098wi |
| IUPAC Name | 1H-indol-4-ylmethanol |
| InChI Key | BVSGXWCTWBZFEV-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Adipic semialdehyde methyl ester, 95%
CAS: 6654-36-0 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 InChI Key: FDNFXHCDOASWAY-UHFFFAOYSA-N Synonym: adipic semialdehyde methyl ester,methyl 5-formylvalerate,methyl adipaldehydate,6-oxo-hexanoic acid methyl ester,6-oxohexanoic acid methyl ester,hexanoic acid, 6-oxo-, methyl ester,5-carbomethoxy-1-pentanal,hexanoic acid,6-oxo-,methyl ester,methyl 6-oxo-hexanoate,methyl 5-formylpentanoate PubChem CID: 81164 IUPAC Name: methyl 6-oxohexanoate SMILES: COC(=O)CCCCC=O
| PubChem CID | 81164 |
|---|---|
| CAS | 6654-36-0 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | COC(=O)CCCCC=O |
| Synonym | adipic semialdehyde methyl ester,methyl 5-formylvalerate,methyl adipaldehydate,6-oxo-hexanoic acid methyl ester,6-oxohexanoic acid methyl ester,hexanoic acid, 6-oxo-, methyl ester,5-carbomethoxy-1-pentanal,hexanoic acid,6-oxo-,methyl ester,methyl 6-oxo-hexanoate,methyl 5-formylpentanoate |
| IUPAC Name | methyl 6-oxohexanoate |
| InChI Key | FDNFXHCDOASWAY-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
6-Methoxy-2-methylbenzothiazole, 97%
CAS: 2941-72-2 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 MDL Number: MFCD00005795 InChI Key: DYHLJSUORLPGNT-UHFFFAOYSA-N Synonym: 6-methoxy-2-methylbenzo d thiazole,6-methoxy-2-methylbenzothiazole,benzothiazole, 6-methoxy-2-methyl,2-methyl-6-methoxybenzothiazole,6-methoxy-2-methyl-benzothiazole,benzothiazole,6-methoxy-2-methyl,6-methoxy-2-methylbenzothiazol,#,benzothiazole, 6-methoxy-2-methyl-6ci,7ci,8ci,9ci PubChem CID: 76254 IUPAC Name: 6-methoxy-2-methyl-1,3-benzothiazole SMILES: CC1=NC2=C(S1)C=C(C=C2)OC
| PubChem CID | 76254 |
|---|---|
| CAS | 2941-72-2 |
| Molecular Weight (g/mol) | 179.237 |
| MDL Number | MFCD00005795 |
| SMILES | CC1=NC2=C(S1)C=C(C=C2)OC |
| Synonym | 6-methoxy-2-methylbenzo d thiazole,6-methoxy-2-methylbenzothiazole,benzothiazole, 6-methoxy-2-methyl,2-methyl-6-methoxybenzothiazole,6-methoxy-2-methyl-benzothiazole,benzothiazole,6-methoxy-2-methyl,6-methoxy-2-methylbenzothiazol,#,benzothiazole, 6-methoxy-2-methyl-6ci,7ci,8ci,9ci |
| IUPAC Name | 6-methoxy-2-methyl-1,3-benzothiazole |
| InChI Key | DYHLJSUORLPGNT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NOS |
1-Methoxy-2-butanol, Thermo Scientific Chemicals
CAS: 53778-73-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 InChI Key: CSZZMFWKAQEMPB-UHFFFAOYNA-N IUPAC Name: 1-methoxybutan-2-ol SMILES: CCC(O)COC
| CAS | 53778-73-7 |
|---|---|
| Molecular Weight (g/mol) | 104.15 |
| SMILES | CCC(O)COC |
| IUPAC Name | 1-methoxybutan-2-ol |
| InChI Key | CSZZMFWKAQEMPB-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
Azaperone
CAS: 1649-18-9 Molecular Formula: C19H22FN3O Molecular Weight (g/mol): 327.40 MDL Number: MFCD00866692 InChI Key: XTKDAFGWCDAMPY-UHFFFAOYSA-N Synonym: azaperone,stresnil,fluoperidol,suicalm,azaperon,azeperone,eucalmyl,sedaperone vet,azaperona,azaperonum PubChem CID: 15443 IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one SMILES: FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1
| PubChem CID | 15443 |
|---|---|
| CAS | 1649-18-9 |
| Molecular Weight (g/mol) | 327.40 |
| MDL Number | MFCD00866692 |
| SMILES | FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1 |
| Synonym | azaperone,stresnil,fluoperidol,suicalm,azaperon,azeperone,eucalmyl,sedaperone vet,azaperona,azaperonum |
| IUPAC Name | 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one |
| InChI Key | XTKDAFGWCDAMPY-UHFFFAOYSA-N |
| Molecular Formula | C19H22FN3O |