Organooxygen compounds
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Dimethyl allylmalonate, 97%
CAS: 40637-56-7 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00014959 InChI Key: VZNFVLWVVHHMBG-UHFFFAOYSA-N Synonym: dimethyl allylmalonate,dimethyl 2-allylmalonate,propanedioic acid, 2-propenyl-, dimethyl ester,1,3-dimethyl 2-prop-2-en-1-yl propanedioate,dimethyl allyl-malonate,acmc-1bnbn,dimethyl 2-allylmalonate #,2-allyl-propanedioic acid dimethyl ester,2-prop-2-enylpropanedioic acid dimethyl ester PubChem CID: 574826 IUPAC Name: dimethyl 2-prop-2-enylpropanedioate SMILES: COC(=O)C(CC=C)C(=O)OC
| PubChem CID | 574826 |
|---|---|
| CAS | 40637-56-7 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00014959 |
| SMILES | COC(=O)C(CC=C)C(=O)OC |
| Synonym | dimethyl allylmalonate,dimethyl 2-allylmalonate,propanedioic acid, 2-propenyl-, dimethyl ester,1,3-dimethyl 2-prop-2-en-1-yl propanedioate,dimethyl allyl-malonate,acmc-1bnbn,dimethyl 2-allylmalonate #,2-allyl-propanedioic acid dimethyl ester,2-prop-2-enylpropanedioic acid dimethyl ester |
| IUPAC Name | dimethyl 2-prop-2-enylpropanedioate |
| InChI Key | VZNFVLWVVHHMBG-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 98+%
CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 IUPAC Name: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
| PubChem CID | 94866 |
|---|---|
| CAS | 6289-46-9 |
| Molecular Weight (g/mol) | 228.20 |
| MDL Number | MFCD00001607 |
| SMILES | COC(=O)C1CC(=O)C(CC1=O)C(=O)OC |
| Synonym | dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester |
| IUPAC Name | dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate |
| InChI Key | MHKKFFHWMKEBDW-UHFFFAOYNA-N |
| Molecular Formula | C10H12O6 |
Ethyl hydrogen malonate, 90+%
CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 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) | 132.115 |
| 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 |
4'-Benzyloxyacetophenone, 98%
CAS: 54696-05-8 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00017247 InChI Key: MKYMYZJJFMPDOA-UHFFFAOYSA-N Synonym: 4'-benzyloxyacetophenone,1-4-benzyloxy phenyl ethanone,4-benzyloxyacetophenone,4'-benzyloxy-acetophenone,1-4-benzyloxy phenyl ethan-1-one,ethanone, 1-4-phenylmethoxy phenyl,4'-benzyloxy acetophenone,1-4-benzyloxyphenyl ethanone PubChem CID: 245226 IUPAC Name: 1-(4-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
| PubChem CID | 245226 |
|---|---|
| CAS | 54696-05-8 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00017247 |
| SMILES | CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2 |
| Synonym | 4'-benzyloxyacetophenone,1-4-benzyloxy phenyl ethanone,4-benzyloxyacetophenone,4'-benzyloxy-acetophenone,1-4-benzyloxy phenyl ethan-1-one,ethanone, 1-4-phenylmethoxy phenyl,4'-benzyloxy acetophenone,1-4-benzyloxyphenyl ethanone |
| IUPAC Name | 1-(4-phenylmethoxyphenyl)ethanone |
| InChI Key | MKYMYZJJFMPDOA-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
1-[4-(3-Bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™
CAS: 937796-01-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD09879973 InChI Key: AMADTVLVNSCDKW-UHFFFAOYSA-N Synonym: 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone PubChem CID: 24229756 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br
| PubChem CID | 24229756 |
|---|---|
| CAS | 937796-01-5 |
| Molecular Weight (g/mol) | 281.167 |
| MDL Number | MFCD09879973 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br |
| Synonym | 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone |
| IUPAC Name | 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone |
| InChI Key | AMADTVLVNSCDKW-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrOS |
2-Bromo-4'-fluoroacetophenone, 97%
CAS: 403-29-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00040830 InChI Key: ZJFWCELATJMDNO-UHFFFAOYSA-N Synonym: 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone PubChem CID: 96749 IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)F
| PubChem CID | 96749 |
|---|---|
| CAS | 403-29-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD00040830 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)F |
| Synonym | 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone |
| IUPAC Name | 2-bromo-1-(4-fluorophenyl)ethanone |
| InChI Key | ZJFWCELATJMDNO-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
2-Bromo-4'-(diethylamino)acetophenone, 98%
CAS: 207986-25-2 Molecular Formula: C12H16BrNO Molecular Weight (g/mol): 270.17 MDL Number: MFCD00151798 InChI Key: ALTMCDJIFXTEPV-UHFFFAOYSA-N Synonym: 2-bromo-1-4-diethylamino phenyl ethanone,alpha-bromo-4-diethylamino acetophenone,2-bromo-4'-diethylamino acetophenone,2-bromo-1-4-diethylamino phenyl ethan-1-one,4-diethylaminophenacyl bromide,n,n-diethyl-4-bromoacetyl aniline,4-n,n-diethylamino phenacyl bromide,.alpha.-bromo-4-diethylaminoacetophenone,2-bromo-1-4-diethylaminophenyl ethanone PubChem CID: 2795030 IUPAC Name: 2-bromo-1-[4-(diethylamino)phenyl]ethanone SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 2795030 |
|---|---|
| CAS | 207986-25-2 |
| Molecular Weight (g/mol) | 270.17 |
| MDL Number | MFCD00151798 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-1-4-diethylamino phenyl ethanone,alpha-bromo-4-diethylamino acetophenone,2-bromo-4'-diethylamino acetophenone,2-bromo-1-4-diethylamino phenyl ethan-1-one,4-diethylaminophenacyl bromide,n,n-diethyl-4-bromoacetyl aniline,4-n,n-diethylamino phenacyl bromide,.alpha.-bromo-4-diethylaminoacetophenone,2-bromo-1-4-diethylaminophenyl ethanone |
| IUPAC Name | 2-bromo-1-[4-(diethylamino)phenyl]ethanone |
| InChI Key | ALTMCDJIFXTEPV-UHFFFAOYSA-N |
| Molecular Formula | C12H16BrNO |
1,1,1,3,3,3-Hexafluoroacetone sesquihydrate, 98%
CAS: 13098-39-0 Molecular Formula: 1·5 H2O Molecular Weight (g/mol): 193.05 MDL Number: MFCD06800792 InChI Key: VAIZVCMDJPBJCM-UHFFFAOYSA-N Synonym: hexafluoroacetone sesquihydrate,unii-cu1noz8ps6,ccris 4653,acetone, hexafluoro-, sesquihydrate,hexafluoro-2-propanone sesquihydrate,cu1noz8ps6,2-propanone, hexafluoro-, sesquihydrate,1,1,1,3,3,3-hexafluoroacetone sesquihydrate,2-propanone, 1,1,1,3,3,3-hexafluoro-, hydrate 2:3,hexafluoroacetone 1.5-hydrate PubChem CID: 3032602 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate SMILES: C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.O.O.O
| PubChem CID | 3032602 |
|---|---|
| CAS | 13098-39-0 |
| Molecular Weight (g/mol) | 193.05 |
| MDL Number | MFCD06800792 |
| SMILES | C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.O.O.O |
| Synonym | hexafluoroacetone sesquihydrate,unii-cu1noz8ps6,ccris 4653,acetone, hexafluoro-, sesquihydrate,hexafluoro-2-propanone sesquihydrate,cu1noz8ps6,2-propanone, hexafluoro-, sesquihydrate,1,1,1,3,3,3-hexafluoroacetone sesquihydrate,2-propanone, 1,1,1,3,3,3-hexafluoro-, hydrate 2:3,hexafluoroacetone 1.5-hydrate |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate |
| InChI Key | VAIZVCMDJPBJCM-UHFFFAOYSA-N |
| Molecular Formula | 1·5 H2O |
2-Benzoylpyridine, 99+%
CAS: 91-02-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00006300 InChI Key: GCSHUYKULREZSJ-UHFFFAOYSA-N Synonym: 2-benzoylpyridine,phenyl pyridin-2-yl methanone,phenyl 2-pyridyl ketone,methanone, phenyl-2-pyridinyl,pyridine, 2-benzoyl,2-pyridyl phenyl ketone,ketone, phenyl 2-pyridyl,phenyl 2-pyridinyl methanone,phenyl-a-pyridylketone,phenyl 2-pyridyl methanone PubChem CID: 7038 IUPAC Name: phenyl(pyridin-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=N2
| PubChem CID | 7038 |
|---|---|
| CAS | 91-02-1 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00006300 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=N2 |
| Synonym | 2-benzoylpyridine,phenyl pyridin-2-yl methanone,phenyl 2-pyridyl ketone,methanone, phenyl-2-pyridinyl,pyridine, 2-benzoyl,2-pyridyl phenyl ketone,ketone, phenyl 2-pyridyl,phenyl 2-pyridinyl methanone,phenyl-a-pyridylketone,phenyl 2-pyridyl methanone |
| IUPAC Name | phenyl(pyridin-2-yl)methanone |
| InChI Key | GCSHUYKULREZSJ-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
| CAS | 2002-04-2 |
|---|---|
| MDL Number | MFCD00473692 |
| CAS | 2040-04-2 |
|---|---|
| MDL Number | MFCD00008729 |
D-myo-Inositol, 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 |
3-Mercapto-1-hexanol, 96%
CAS: 51755-83-0 Molecular Formula: C6H14OS Molecular Weight (g/mol): 134.23 MDL Number: MFCD00792515 InChI Key: TYZFMFVWHZKYSE-UHFFFAOYSA-N Synonym: 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol PubChem CID: 521348 ChEBI: CHEBI:77690 IUPAC Name: 3-sulfanylhexan-1-ol SMILES: CCCC(CCO)S
| PubChem CID | 521348 |
|---|---|
| CAS | 51755-83-0 |
| Molecular Weight (g/mol) | 134.23 |
| ChEBI | CHEBI:77690 |
| MDL Number | MFCD00792515 |
| SMILES | CCCC(CCO)S |
| Synonym | 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol |
| IUPAC Name | 3-sulfanylhexan-1-ol |
| InChI Key | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS |
3-Buten-1-ol, Spectrum™ Chemical
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CAS: 627-27-0
| CAS | 627-27-0 |
|---|
1,3-Cyclohexanediol, cis + trans, 98%
CAS: 504-01-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00039458 InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N Synonym: 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 PubChem CID: 10433 IUPAC Name: cyclohexane-1,3-diol SMILES: C1CC(CC(C1)O)O
| PubChem CID | 10433 |
|---|---|
| CAS | 504-01-8 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00039458 |
| SMILES | C1CC(CC(C1)O)O |
| Synonym | 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 |
| IUPAC Name | cyclohexane-1,3-diol |
| InChI Key | RLMGYIOTPQVQJR-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |