Organooxygen compounds
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3,4-Dihydro-2H-1,5-benzodioxepin-7-amine, 98%
CAS: 175136-34-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00218806 InChI Key: FVLCICVRAPEYNX-UHFFFAOYSA-N PubChem CID: 2775654 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-amine SMILES: C1COC2=C(C=C(C=C2)N)OC1
| PubChem CID | 2775654 |
|---|---|
| CAS | 175136-34-2 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00218806 |
| SMILES | C1COC2=C(C=C(C=C2)N)OC1 |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-7-amine |
| InChI Key | FVLCICVRAPEYNX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
1-Bromo-2-hexadecanone, 97%, Thermo Scientific Chemicals
CAS: 21436-52-2 Molecular Formula: C16H31BrO Molecular Weight (g/mol): 319.327 MDL Number: MFCD07777089 InChI Key: ICZYLTOWIBJLIK-UHFFFAOYSA-N Synonym: 1-bromo-2-hexadecanone,acmc-1cipg,2-hexadecanone,1-bromo PubChem CID: 14843414 IUPAC Name: 1-bromohexadecan-2-one SMILES: CCCCCCCCCCCCCCC(=O)CBr
| PubChem CID | 14843414 |
|---|---|
| CAS | 21436-52-2 |
| Molecular Weight (g/mol) | 319.327 |
| MDL Number | MFCD07777089 |
| SMILES | CCCCCCCCCCCCCCC(=O)CBr |
| Synonym | 1-bromo-2-hexadecanone,acmc-1cipg,2-hexadecanone,1-bromo |
| IUPAC Name | 1-bromohexadecan-2-one |
| InChI Key | ICZYLTOWIBJLIK-UHFFFAOYSA-N |
| Molecular Formula | C16H31BrO |
4'-Hydroxy-3'-(trifluoromethyl)acetophenone, 95%, Thermo Scientific Chemicals
CAS: 149105-11-3 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD01091005 InChI Key: HKRUXZJKSFFSGF-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethyl acetophenone,1-4-hydroxy-3-trifluoromethyl phenyl ethanone,4'-hydroxy-3'-trifluoromethyl acetophenone,1-4-hydroxy-3-trifluoromethyl phenyl ethan-1-one,1-4-hydroxy-3-trifluoromethylphenyl ethanone,ethanone,1-4-hydroxy-3-trifluoromethyl phenyl,acmc-1bxyq,intermediates-zcf02143,5-acetyl-2-hydroxybenzotrifluoride PubChem CID: 2775109 IUPAC Name: 1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=C(C=C1)O)C(F)(F)F
| PubChem CID | 2775109 |
|---|---|
| CAS | 149105-11-3 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD01091005 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(F)(F)F |
| Synonym | 4-hydroxy-3-trifluoromethyl acetophenone,1-4-hydroxy-3-trifluoromethyl phenyl ethanone,4'-hydroxy-3'-trifluoromethyl acetophenone,1-4-hydroxy-3-trifluoromethyl phenyl ethan-1-one,1-4-hydroxy-3-trifluoromethylphenyl ethanone,ethanone,1-4-hydroxy-3-trifluoromethyl phenyl,acmc-1bxyq,intermediates-zcf02143,5-acetyl-2-hydroxybenzotrifluoride |
| IUPAC Name | 1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone |
| InChI Key | HKRUXZJKSFFSGF-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
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 |
5-Bromo-2-isopropoxypyridine, 97%
CAS: 870521-31-6 Molecular Formula: C8H10BrNO Molecular Weight (g/mol): 216.08 MDL Number: MFCD07368869 InChI Key: FSZRSTNRZUIEMA-UHFFFAOYSA-N Synonym: 5-bromo-2-isopropoxypyridine,5-bromo-2-propan-2-yloxy pyridine,5-bromo-2-isopropoxy-pyridine,3-bromo-6-i-propoxy pyridine,pyridine, 5-bromo-2-1-methylethoxy,pubchem22060,acmc-209qd4,2-isopropoxy-5-bromo-pyridine,5-bromo-2-iso-propoxypyridine,5-bromo-2-isopropyloxypyridine PubChem CID: 21935068 IUPAC Name: 5-bromo-2-propan-2-yloxypyridine SMILES: CC(C)OC1=NC=C(Br)C=C1
| PubChem CID | 21935068 |
|---|---|
| CAS | 870521-31-6 |
| Molecular Weight (g/mol) | 216.08 |
| MDL Number | MFCD07368869 |
| SMILES | CC(C)OC1=NC=C(Br)C=C1 |
| Synonym | 5-bromo-2-isopropoxypyridine,5-bromo-2-propan-2-yloxy pyridine,5-bromo-2-isopropoxy-pyridine,3-bromo-6-i-propoxy pyridine,pyridine, 5-bromo-2-1-methylethoxy,pubchem22060,acmc-209qd4,2-isopropoxy-5-bromo-pyridine,5-bromo-2-iso-propoxypyridine,5-bromo-2-isopropyloxypyridine |
| IUPAC Name | 5-bromo-2-propan-2-yloxypyridine |
| InChI Key | FSZRSTNRZUIEMA-UHFFFAOYSA-N |
| Molecular Formula | C8H10BrNO |
(R)-(-)-4-Methylmandelic acid, ChiPros∣r, 98%, ee 97+%
CAS: 31284-89-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00798433,MFCD00961860 InChI Key: SFGURAWGCAPHON-UHFFFAOYNA-N Synonym: 2-hydroxy-2-4-methylphenyl acetic acid,4-methylmandelic acid,p-methyl mandelic acid,2-hydroxy-2-p-tolyl acetic acid,hydroxy 4-methylphenyl acetic acid,hydroxy-p-tolyl-acetic acid,p-methylmandelic acid,4-methylmaldelic acid,p-methyl-mandelic acid,acmc-1afsj PubChem CID: 12458823 IUPAC Name: (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)C(O)C(O)=O
| PubChem CID | 12458823 |
|---|---|
| CAS | 31284-89-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00798433,MFCD00961860 |
| SMILES | CC1=CC=C(C=C1)C(O)C(O)=O |
| Synonym | 2-hydroxy-2-4-methylphenyl acetic acid,4-methylmandelic acid,p-methyl mandelic acid,2-hydroxy-2-p-tolyl acetic acid,hydroxy 4-methylphenyl acetic acid,hydroxy-p-tolyl-acetic acid,p-methylmandelic acid,4-methylmaldelic acid,p-methyl-mandelic acid,acmc-1afsj |
| IUPAC Name | (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid |
| InChI Key | SFGURAWGCAPHON-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
2-Fluoro-4-hydroxybenzaldehyde, 97%
CAS: 348-27-6 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD06797918 InChI Key: ONRPXRPUBXXCCM-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2-fluoro-4-hydroxy,pubchem1442,acmc-1act5,ksc497m4n,# PubChem CID: 587246 IUPAC Name: 2-fluoro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1O)F)C=O
| PubChem CID | 587246 |
|---|---|
| CAS | 348-27-6 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD06797918 |
| SMILES | C1=CC(=C(C=C1O)F)C=O |
| Synonym | 2-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2-fluoro-4-hydroxy,pubchem1442,acmc-1act5,ksc497m4n,# |
| IUPAC Name | 2-fluoro-4-hydroxybenzaldehyde |
| InChI Key | ONRPXRPUBXXCCM-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
tert-Butyl hydrogen malonate, 96%
CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O
| PubChem CID | 545853 |
|---|---|
| CAS | 40052-13-9 |
| Molecular Weight (g/mol) | 160.169 |
| MDL Number | MFCD00191886 |
| SMILES | CC(C)(C)OC(=O)CC(=O)O |
| Synonym | 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| InChI Key | NGGGZUAEOKRHMA-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
Dimethyl cyclohexylmalonate, 95%
CAS: 49769-76-8 Molecular Formula: C11H18O4 Molecular Weight (g/mol): 214.261 MDL Number: MFCD05666206 InChI Key: CULITIDIVVTWIV-UHFFFAOYSA-N Synonym: dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester PubChem CID: 2793740 IUPAC Name: dimethyl 2-cyclohexylpropanedioate SMILES: COC(=O)C(C1CCCCC1)C(=O)OC
| PubChem CID | 2793740 |
|---|---|
| CAS | 49769-76-8 |
| Molecular Weight (g/mol) | 214.261 |
| MDL Number | MFCD05666206 |
| SMILES | COC(=O)C(C1CCCCC1)C(=O)OC |
| Synonym | dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester |
| IUPAC Name | dimethyl 2-cyclohexylpropanedioate |
| InChI Key | CULITIDIVVTWIV-UHFFFAOYSA-N |
| Molecular Formula | C11H18O4 |
Bromomalonaldehyde, 97%
CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.959 MDL Number: MFCD00459999 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br
| PubChem CID | 74945 |
|---|---|
| CAS | 2065-75-0 |
| Molecular Weight (g/mol) | 150.959 |
| MDL Number | MFCD00459999 |
| SMILES | C(=O)C(C=O)Br |
| Synonym | 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde |
| IUPAC Name | 2-bromopropanedial |
| InChI Key | SURMYNZXHKLDFO-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO2 |
2,3-Difluoro-4-hydroxybenzaldehyde, 98%, Thermo Scientific Chemicals
CAS: 676500-39-3 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.10 MDL Number: MFCD08235194 InChI Key: KTGPDDPEVRJSFY-UHFFFAOYSA-N PubChem CID: 23107063 IUPAC Name: 2,3-difluoro-4-hydroxybenzaldehyde SMILES: OC1=C(F)C(F)=C(C=O)C=C1
| PubChem CID | 23107063 |
|---|---|
| CAS | 676500-39-3 |
| Molecular Weight (g/mol) | 158.10 |
| MDL Number | MFCD08235194 |
| SMILES | OC1=C(F)C(F)=C(C=O)C=C1 |
| IUPAC Name | 2,3-difluoro-4-hydroxybenzaldehyde |
| InChI Key | KTGPDDPEVRJSFY-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
2-Ethyl-4-methyl-1,3-dioxolane, cis + trans, 99%
CAS: 4359-46-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD16622267 InChI Key: CSZCLQLJVFLXLI-UHFFFAOYSA-N Synonym: 1,3-dioxolane, 2-ethyl-4-methyl,1,3-dioxolane,2-ethyl-4-methyl,cis,1,2-propanediol acetal,1,3-dioxolane, 2-ethyl-4-methyl-, cis,cis-2-thyl-4-methyl-1,3-dioxolane,2-ethyl-4-methyl-1,3-dioxolane, cis + trans,solution in acetonitrile 1000mg/l PubChem CID: 92210 IUPAC Name: 2-ethyl-4-methyl-1,3-dioxolane SMILES: CCC1OCC(O1)C
| PubChem CID | 92210 |
|---|---|
| CAS | 4359-46-0 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD16622267 |
| SMILES | CCC1OCC(O1)C |
| Synonym | 1,3-dioxolane, 2-ethyl-4-methyl,1,3-dioxolane,2-ethyl-4-methyl,cis,1,2-propanediol acetal,1,3-dioxolane, 2-ethyl-4-methyl-, cis,cis-2-thyl-4-methyl-1,3-dioxolane,2-ethyl-4-methyl-1,3-dioxolane, cis + trans,solution in acetonitrile 1000mg/l |
| IUPAC Name | 2-ethyl-4-methyl-1,3-dioxolane |
| InChI Key | CSZCLQLJVFLXLI-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
3-Methyl-1H-pyrazole-4-carboxaldehyde, 97%
CAS: 112758-40-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01313822 InChI Key: NWDMGTFNIOCVDU-UHFFFAOYSA-N Synonym: 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole PubChem CID: 2760056 IUPAC Name: 5-methyl-1H-pyrazole-4-carbaldehyde SMILES: CC1=C(C=O)C=NN1
| PubChem CID | 2760056 |
|---|---|
| CAS | 112758-40-4 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01313822 |
| SMILES | CC1=C(C=O)C=NN1 |
| Synonym | 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole |
| IUPAC Name | 5-methyl-1H-pyrazole-4-carbaldehyde |
| InChI Key | NWDMGTFNIOCVDU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
4,4'-Diacetylbiphenyl, 98%
CAS: 787-69-9 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.28 InChI Key: YSTSBXDVNKYPTR-UHFFFAOYSA-N Synonym: 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl PubChem CID: 301558 IUPAC Name: 1-[4-(4-acetylphenyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
| PubChem CID | 301558 |
|---|---|
| CAS | 787-69-9 |
| Molecular Weight (g/mol) | 238.28 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C |
| Synonym | 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl |
| IUPAC Name | 1-[4-(4-acetylphenyl)phenyl]ethanone |
| InChI Key | YSTSBXDVNKYPTR-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2 |
4'-(Trifluoromethoxy)acetophenone, 98%, Thermo Scientific™
CAS: 85013-98-5 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042404 InChI Key: MOEXTBIPPMLEFX-UHFFFAOYSA-N Synonym: 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone PubChem CID: 522821 IUPAC Name: 1-[4-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 522821 |
|---|---|
| CAS | 85013-98-5 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD00042404 |
| SMILES | CC(=O)C1=CC=C(OC(F)(F)F)C=C1 |
| Synonym | 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone |
| IUPAC Name | 1-[4-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | MOEXTBIPPMLEFX-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |