Organooxygen compounds
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D-Myo-inositol, 99.26%, For HPLC analysis, MP Biomedicals™
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
2-Methyl-6-quinolinecarbaldehyde, ≥97%, Thermo Scientific™
CAS: 108166-03-6 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.20 MDL Number: MFCD08060502 InChI Key: WAPQHBBEWPVBTO-UHFFFAOYSA-N Synonym: 2-methyl-6-quinolinecarbaldehyde,2-methyl-6-quinolinecarboxaldehyde,2-methylquinoline-6-carboxaldehyde,6-quinolinecarboxaldehyde,2-methyl,6-quinolinecarboxaldehyde, 2-methyl,acmc-1bu0b,6-formyl-2-methylquinoline,2-methyl-quinoline-6-carbaldehyde PubChem CID: 7537486 IUPAC Name: 2-methylquinoline-6-carbaldehyde SMILES: CC1=CC=C2C=C(C=O)C=CC2=N1
| PubChem CID | 7537486 |
|---|---|
| CAS | 108166-03-6 |
| Molecular Weight (g/mol) | 171.20 |
| MDL Number | MFCD08060502 |
| SMILES | CC1=CC=C2C=C(C=O)C=CC2=N1 |
| Synonym | 2-methyl-6-quinolinecarbaldehyde,2-methyl-6-quinolinecarboxaldehyde,2-methylquinoline-6-carboxaldehyde,6-quinolinecarboxaldehyde,2-methyl,6-quinolinecarboxaldehyde, 2-methyl,acmc-1bu0b,6-formyl-2-methylquinoline,2-methyl-quinoline-6-carbaldehyde |
| IUPAC Name | 2-methylquinoline-6-carbaldehyde |
| InChI Key | WAPQHBBEWPVBTO-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO |
3,4-Dihydro-2H-1,5-benzodioxepine-7-carboxylic acid, 97%, Thermo Scientific™
CAS: 20825-89-2 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00276310 InChI Key: MQSSBVLREFSMDP-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 dioxepine-7-carboxylic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylic acid,2h-1,5-benzodioxepin-7-carboxylic acid, 3,4-dihydro,2h,3h,4h-benzo b 1,4-dioxepin-7-carboxylic acid,acmc-1crio,7-carboxy-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin-7-carboxylicacid, 3,4-dihydro,2h-1,5-benzodioxepin-7-carboxylicacid,3,4-dihydro PubChem CID: 2776383 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid SMILES: C1COC2=C(C=C(C=C2)C(=O)O)OC1
| PubChem CID | 2776383 |
|---|---|
| CAS | 20825-89-2 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00276310 |
| SMILES | C1COC2=C(C=C(C=C2)C(=O)O)OC1 |
| Synonym | 3,4-dihydro-2h-benzo b 1,4 dioxepine-7-carboxylic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylic acid,2h-1,5-benzodioxepin-7-carboxylic acid, 3,4-dihydro,2h,3h,4h-benzo b 1,4-dioxepin-7-carboxylic acid,acmc-1crio,7-carboxy-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin-7-carboxylicacid, 3,4-dihydro,2h-1,5-benzodioxepin-7-carboxylicacid,3,4-dihydro |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
| InChI Key | MQSSBVLREFSMDP-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4-(2-Morpholin-4-ylethoxy)aniline, 97%, Thermo Scientific™
CAS: 52481-41-1 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.288 InChI Key: ZHFFNLQQANCJEQ-UHFFFAOYSA-N Synonym: 4-2-morpholinoethoxy aniline,4-2-morpholin-4-ylethoxy aniline,4-2-morpholin-4-yl-ethoxy-phenylamine,4-2-morpholin-4-yl ethoxy aniline,4-2-4-morpholinyl ethoxy aniline,4-2-morpholin-4-yl-ethoxy phenylamine,4-2-morpholin-4-ylethoxy phenylamine,4-2-4-amino-phenoxy ethyl-morpholine PubChem CID: 6484711 IUPAC Name: 4-(2-morpholin-4-ylethoxy)aniline SMILES: C1COCCN1CCOC2=CC=C(C=C2)N
| PubChem CID | 6484711 |
|---|---|
| CAS | 52481-41-1 |
| Molecular Weight (g/mol) | 222.288 |
| SMILES | C1COCCN1CCOC2=CC=C(C=C2)N |
| Synonym | 4-2-morpholinoethoxy aniline,4-2-morpholin-4-ylethoxy aniline,4-2-morpholin-4-yl-ethoxy-phenylamine,4-2-morpholin-4-yl ethoxy aniline,4-2-4-morpholinyl ethoxy aniline,4-2-morpholin-4-yl-ethoxy phenylamine,4-2-morpholin-4-ylethoxy phenylamine,4-2-4-amino-phenoxy ethyl-morpholine |
| IUPAC Name | 4-(2-morpholin-4-ylethoxy)aniline |
| InChI Key | ZHFFNLQQANCJEQ-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2O2 |
2-Methyl-3-furaldehyde, 97%, Thermo Scientific™
CAS: 5612-67-9 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD09702375 InChI Key: WBFUBNWKSDINIX-UHFFFAOYSA-N Synonym: 2-methyl-3-furaldehyde,3-formyl-2-methylfuran,3-furancarboxaldehyde, 2-methyl,2-methylfuran-3-aldehyde,2-methylfuran-3-carboxaldehyde PubChem CID: 12735590 IUPAC Name: 2-methylfuran-3-carbaldehyde SMILES: CC1=C(C=CO1)C=O
| PubChem CID | 12735590 |
|---|---|
| CAS | 5612-67-9 |
| Molecular Weight (g/mol) | 110.112 |
| MDL Number | MFCD09702375 |
| SMILES | CC1=C(C=CO1)C=O |
| Synonym | 2-methyl-3-furaldehyde,3-formyl-2-methylfuran,3-furancarboxaldehyde, 2-methyl,2-methylfuran-3-aldehyde,2-methylfuran-3-carboxaldehyde |
| IUPAC Name | 2-methylfuran-3-carbaldehyde |
| InChI Key | WBFUBNWKSDINIX-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2 |
2-Bromo-1-(2-chloropyridin-4-yl)ethanone, 95%, Thermo Scientific™
CAS: 23794-16-3 Molecular Formula: C7H5BrClNO Molecular Weight (g/mol): 234.477 MDL Number: MFCD09702373 InChI Key: BZWBRLWSWBQIBX-UHFFFAOYSA-N Synonym: 2-bromo-1-2-chloropyridin-4-yl ethanone,2-bromo-1-2-chloro-4-pyridyl ethanone,2-bromo-1-2-chloropyridin-4-yl ethan-1-one,2-bromo-1-2-chloro-4-pyridinyl ethanone,2-bromo-1-2-chloro-pyridin-4-yl-ethanone,2-chloro-4-bromoacetylpyridine,2-bromo-1-2-chloro-pyridin-4-yl ethanone,ethanone,2-bromo-1-2-chloro-4-pyridinyl,2-bromo-1-2-chloro 4-pyridyl ethan-1-one,2-bromanyl-1-2-chloranylpyridin-4-yl ethanone PubChem CID: 16720431 IUPAC Name: 2-bromo-1-(2-chloropyridin-4-yl)ethanone SMILES: C1=CN=C(C=C1C(=O)CBr)Cl
| PubChem CID | 16720431 |
|---|---|
| CAS | 23794-16-3 |
| Molecular Weight (g/mol) | 234.477 |
| MDL Number | MFCD09702373 |
| SMILES | C1=CN=C(C=C1C(=O)CBr)Cl |
| Synonym | 2-bromo-1-2-chloropyridin-4-yl ethanone,2-bromo-1-2-chloro-4-pyridyl ethanone,2-bromo-1-2-chloropyridin-4-yl ethan-1-one,2-bromo-1-2-chloro-4-pyridinyl ethanone,2-bromo-1-2-chloro-pyridin-4-yl-ethanone,2-chloro-4-bromoacetylpyridine,2-bromo-1-2-chloro-pyridin-4-yl ethanone,ethanone,2-bromo-1-2-chloro-4-pyridinyl,2-bromo-1-2-chloro 4-pyridyl ethan-1-one,2-bromanyl-1-2-chloranylpyridin-4-yl ethanone |
| IUPAC Name | 2-bromo-1-(2-chloropyridin-4-yl)ethanone |
| InChI Key | BZWBRLWSWBQIBX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClNO |
Diisopropyl ether, puriss p.a., ≥98.5% (GC), Honeywell Riedel-de Haën™
CAS: 108-20-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.177 MDL Number: MFCD00008880 InChI Key: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N Synonym: diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether PubChem CID: 7914 IUPAC Name: 2-propan-2-yloxypropane SMILES: CC(C)OC(C)C
| PubChem CID | 7914 |
|---|---|
| CAS | 108-20-3 |
| Molecular Weight (g/mol) | 102.177 |
| MDL Number | MFCD00008880 |
| SMILES | CC(C)OC(C)C |
| Synonym | diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether |
| IUPAC Name | 2-propan-2-yloxypropane |
| InChI Key | ZAFNJMIOTHYJRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
3,3,3-Trifluoro-1-propanol, 97%
CAS: 2240-88-2 Molecular Formula: C3H5F3O Molecular Weight (g/mol): 114.067 MDL Number: MFCD00190649 InChI Key: HDBGBTNNPRCVND-UHFFFAOYSA-N Synonym: 3,3,3-trifluoro-1-propanol,3,3,3-trifluoropropanol,1-propanol, 3,3,3-trifluoro,trifluoropropanol,acmc-1cqb1,3,3,3-trifluoropropanol-1,2-trifluoromethyl ethan-1-ol,3,3,3-trifluoro-propan-1-ol,poly difluoromethylene , alpha-fluoro-omega-2-hydroxyethyl,3-hydroxy-1,1,1-trifluoropropane PubChem CID: 137512 IUPAC Name: 3,3,3-trifluoropropan-1-ol SMILES: C(CO)C(F)(F)F
| PubChem CID | 137512 |
|---|---|
| CAS | 2240-88-2 |
| Molecular Weight (g/mol) | 114.067 |
| MDL Number | MFCD00190649 |
| SMILES | C(CO)C(F)(F)F |
| Synonym | 3,3,3-trifluoro-1-propanol,3,3,3-trifluoropropanol,1-propanol, 3,3,3-trifluoro,trifluoropropanol,acmc-1cqb1,3,3,3-trifluoropropanol-1,2-trifluoromethyl ethan-1-ol,3,3,3-trifluoro-propan-1-ol,poly difluoromethylene , alpha-fluoro-omega-2-hydroxyethyl,3-hydroxy-1,1,1-trifluoropropane |
| IUPAC Name | 3,3,3-trifluoropropan-1-ol |
| InChI Key | HDBGBTNNPRCVND-UHFFFAOYSA-N |
| Molecular Formula | C3H5F3O |
3-Pyridyloxyacetic acid, 98%
CAS: 86649-57-2 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD04039772 InChI Key: MBEPWLCDXKKANL-UHFFFAOYSA-N Synonym: pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid PubChem CID: 3159630 IUPAC Name: 2-pyridin-3-yloxyacetic acid SMILES: OC(=O)COC1=CN=CC=C1
| PubChem CID | 3159630 |
|---|---|
| CAS | 86649-57-2 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD04039772 |
| SMILES | OC(=O)COC1=CN=CC=C1 |
| Synonym | pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid |
| IUPAC Name | 2-pyridin-3-yloxyacetic acid |
| InChI Key | MBEPWLCDXKKANL-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Mercaptoethanol Cell Culture MP Biomedicals
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethan-1-ol SMILES: OCCS
| PubChem CID | 1567 |
|---|---|
| CAS | 60-24-2 |
| Molecular Weight (g/mol) | 78.13 |
| ChEBI | CHEBI:41218 |
| MDL Number | MFCD00004890 |
| SMILES | OCCS |
| Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
| IUPAC Name | 2-sulfanylethan-1-ol |
| InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
| Molecular Formula | C2H6OS |
Phorbol 12-Myristate 13-acetate, ∽99%, Molecular biology reagent grade, MP Biomedicals™
CAS: 16561-29-8 Molecular Formula: C36H56O8 Molecular Weight (g/mol): 616.84 MDL Number: MFCD00036736 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
| PubChem CID | 27924 |
|---|---|
| CAS | 16561-29-8 |
| Molecular Weight (g/mol) | 616.84 |
| ChEBI | CHEBI:37537 |
| MDL Number | MFCD00036736 |
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
| Synonym | phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate |
| IUPAC Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate |
| InChI Key | PHEDXBVPIONUQT-RGYGYFBISA-N |
| Molecular Formula | C36H56O8 |
2-Bromo-1-(2-thienyl)-1-ethanone, Technical Grade, Thermo Scientific™
CAS: 10531-41-6 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 InChI Key: UHWNENCHFSDZQP-UHFFFAOYSA-N Synonym: 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one PubChem CID: 2776372 IUPAC Name: 2-bromo-1-thiophen-2-ylethanone SMILES: C1=CSC(=C1)C(=O)CBr
| PubChem CID | 2776372 |
|---|---|
| CAS | 10531-41-6 |
| Molecular Weight (g/mol) | 205.069 |
| SMILES | C1=CSC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one |
| IUPAC Name | 2-bromo-1-thiophen-2-ylethanone |
| InChI Key | UHWNENCHFSDZQP-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
L-Ascorbic acid, ≥98%, MP Biomedicals™
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
7-Methoxyindole, 97%, Thermo Scientific™
CAS: 3189-22-8 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00047203 InChI Key: FSOPPXYMWZOKRM-UHFFFAOYSA-N Synonym: 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi PubChem CID: 76660 IUPAC Name: 7-methoxy-1H-indole SMILES: COC1=CC=CC2=C1NC=C2
| PubChem CID | 76660 |
|---|---|
| CAS | 3189-22-8 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00047203 |
| SMILES | COC1=CC=CC2=C1NC=C2 |
| Synonym | 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi |
| IUPAC Name | 7-methoxy-1H-indole |
| InChI Key | FSOPPXYMWZOKRM-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Methyl 4-trifluoromethylbenzoylacetate, 95%, Thermo Scientific™
CAS: 212755-76-5 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.19 MDL Number: MFCD00216521 InChI Key: NMJOILIYLOHXGP-UHFFFAOYSA-N Synonym: methyl 4-trifluoromethyl benzoylacetate,methyl 4-trifluoromethylbenzoylacetate,methyl 3-oxo-3-4-trifluoromethyl phenyl propanoate,3-oxo-3-4-trifluoromethylphenyl propionic acid methyl ester,methyl 3-4-trifluoromethyl phenyl-3-oxopropanoate,pubchem2696,buttpark 18\10-41,methyl 4-trifluoromethyl benzoyl acetate PubChem CID: 735882 IUPAC Name: methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate SMILES: COC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 735882 |
|---|---|
| CAS | 212755-76-5 |
| Molecular Weight (g/mol) | 246.19 |
| MDL Number | MFCD00216521 |
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F |
| Synonym | methyl 4-trifluoromethyl benzoylacetate,methyl 4-trifluoromethylbenzoylacetate,methyl 3-oxo-3-4-trifluoromethyl phenyl propanoate,3-oxo-3-4-trifluoromethylphenyl propionic acid methyl ester,methyl 3-4-trifluoromethyl phenyl-3-oxopropanoate,pubchem2696,buttpark 18\10-41,methyl 4-trifluoromethyl benzoyl acetate |
| IUPAC Name | methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate |
| InChI Key | NMJOILIYLOHXGP-UHFFFAOYSA-N |
| Molecular Formula | C11H9F3O3 |