Organooxygen compounds
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Methyl 2-oxoindane-1-carboxylate, 97%
CAS: 104620-34-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD06200715 InChI Key: RWSYHHRDYRDVQL-UHFFFAOYSA-N Synonym: methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester PubChem CID: 10888732 IUPAC Name: methyl 2-oxo-1,3-dihydroindene-1-carboxylate SMILES: COC(=O)C1C(=O)CC2=CC=CC=C12
| PubChem CID | 10888732 |
|---|---|
| CAS | 104620-34-0 |
| Molecular Weight (g/mol) | 190.198 |
| MDL Number | MFCD06200715 |
| SMILES | COC(=O)C1C(=O)CC2=CC=CC=C12 |
| Synonym | methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester |
| IUPAC Name | methyl 2-oxo-1,3-dihydroindene-1-carboxylate |
| InChI Key | RWSYHHRDYRDVQL-UHFFFAOYSA-N |
| Molecular Formula | C11H10O3 |
5-Bromoindole-3-carboxaldehyde, 97%
CAS: 877-03-2 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.05 MDL Number: MFCD00152016 InChI Key: PEENKJZANBYXNB-UHFFFAOYSA-N Synonym: 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj PubChem CID: 70137 IUPAC Name: 5-bromo-1H-indole-3-carbaldehyde SMILES: C1=CC2=C(C=C1Br)C(=CN2)C=O
| PubChem CID | 70137 |
|---|---|
| CAS | 877-03-2 |
| Molecular Weight (g/mol) | 224.05 |
| MDL Number | MFCD00152016 |
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)C=O |
| Synonym | 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj |
| IUPAC Name | 5-bromo-1H-indole-3-carbaldehyde |
| InChI Key | PEENKJZANBYXNB-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
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 |
18-Crown-6, 99%
CAS: 17455-13-9 Molecular Formula: C12H24O6 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00005113 InChI Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N Synonym: 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane PubChem CID: 28557 ChEBI: CHEBI:32397 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane SMILES: C1COCCOCCOCCOCCOCCO1
| PubChem CID | 28557 |
|---|---|
| CAS | 17455-13-9 |
| Molecular Weight (g/mol) | 264.32 |
| ChEBI | CHEBI:32397 |
| MDL Number | MFCD00005113 |
| SMILES | C1COCCOCCOCCOCCOCCO1 |
| Synonym | 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Molecular Formula | C12H24O6 |
3-Chloro-2-methoxypyridine-4-boronic acid, 95%, Thermo Scientific™
CAS: 957060-88-7 Molecular Formula: C6H7BClNO3 Molecular Weight (g/mol): 187.39 MDL Number: MFCD06798255 InChI Key: YQNAXOGPSUVHNU-UHFFFAOYSA-N Synonym: 3-chloro-2-methoxypyridine-4-boronic acid,3-chloro-2-methoxypyridin-4-yl boronic acid,3-chloro-2-methoxypyridin-4-ylboronicacid,2-methoxy-3-chloropyridine-4-boronic acid,3-chloro-2-methoxy-4-pyridineboronic acid,pubchem17058,abbypharma ap-17-5909,3-chloro-2-methoxypyrdine-4-boronic acid,boronic acid, b-3-chloro-2-methoxy-4-pyridinyl PubChem CID: 44119809 IUPAC Name: (3-chloro-2-methoxypyridin-4-yl)boronic acid SMILES: COC1=NC=CC(B(O)O)=C1Cl
| PubChem CID | 44119809 |
|---|---|
| CAS | 957060-88-7 |
| Molecular Weight (g/mol) | 187.39 |
| MDL Number | MFCD06798255 |
| SMILES | COC1=NC=CC(B(O)O)=C1Cl |
| Synonym | 3-chloro-2-methoxypyridine-4-boronic acid,3-chloro-2-methoxypyridin-4-yl boronic acid,3-chloro-2-methoxypyridin-4-ylboronicacid,2-methoxy-3-chloropyridine-4-boronic acid,3-chloro-2-methoxy-4-pyridineboronic acid,pubchem17058,abbypharma ap-17-5909,3-chloro-2-methoxypyrdine-4-boronic acid,boronic acid, b-3-chloro-2-methoxy-4-pyridinyl |
| IUPAC Name | (3-chloro-2-methoxypyridin-4-yl)boronic acid |
| InChI Key | YQNAXOGPSUVHNU-UHFFFAOYSA-N |
| Molecular Formula | C6H7BClNO3 |
Ethyl acetoacetate, 99+%, extra pure
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C
| PubChem CID | 8868 |
|---|---|
| CAS | 141-97-9 |
| Molecular Weight (g/mol) | 130.14 |
| ChEBI | CHEBI:4893 |
| MDL Number | MFCD00009199 |
| SMILES | CCOC(=O)CC(=O)C |
| Synonym | ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate |
| IUPAC Name | ethyl 3-oxobutanoate |
| InChI Key | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde, 97%, Thermo Scientific Chemicals
CAS: 307308-03-8 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 InChI Key: CSPINDKIWMCRNX-UHFFFAOYSA-N Synonym: 4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxaldehyde,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carbaldehyde,pyrazolo 1,5-a pyridine-3-carboxaldehyde,4,5,6,7-tetrahydro-9ci,pyrazolo 1,5-a pyridine-3-carboxaldehyde, 4,5,6,7-tetrahydro-9ci PubChem CID: 45083680 IUPAC Name: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde SMILES: C1CCN2C(=C(C=N2)C=O)C1
| PubChem CID | 45083680 |
|---|---|
| CAS | 307308-03-8 |
| Molecular Weight (g/mol) | 150.18 |
| SMILES | C1CCN2C(=C(C=N2)C=O)C1 |
| Synonym | 4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxaldehyde,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carbaldehyde,pyrazolo 1,5-a pyridine-3-carboxaldehyde,4,5,6,7-tetrahydro-9ci,pyrazolo 1,5-a pyridine-3-carboxaldehyde, 4,5,6,7-tetrahydro-9ci |
| IUPAC Name | 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde |
| InChI Key | CSPINDKIWMCRNX-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
3',5'-Dimethylacetophenone, 97%
CAS: 5379-16-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD01075693 InChI Key: BKIHFZLJJUNKMZ-UHFFFAOYSA-N Synonym: 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone PubChem CID: 14921 IUPAC Name: 1-(3,5-dimethylphenyl)ethanone SMILES: CC1=CC(=CC(=C1)C(=O)C)C
| PubChem CID | 14921 |
|---|---|
| CAS | 5379-16-8 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD01075693 |
| SMILES | CC1=CC(=CC(=C1)C(=O)C)C |
| Synonym | 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone |
| IUPAC Name | 1-(3,5-dimethylphenyl)ethanone |
| InChI Key | BKIHFZLJJUNKMZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4'-Bromoacetophenone, 98%
CAS: 99-90-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000105 InChI Key: WYECURVXVYPVAT-UHFFFAOYSA-N Synonym: 4'-bromoacetophenone,1-4-bromophenyl ethanone,p-bromoacetophenone,4-bromoacetophenone,ethanone, 1-4-bromophenyl,1-4-bromophenyl ethan-1-one,1-acetyl-4-bromobenzene,methyl p-bromophenyl ketone,p-bromophenyl methyl ketone,acetophenone, 4'-bromo PubChem CID: 7466 IUPAC Name: 1-(4-bromophenyl)ethanone SMILES: CC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 7466 |
|---|---|
| CAS | 99-90-1 |
| Molecular Weight (g/mol) | 199.05 |
| MDL Number | MFCD00000105 |
| SMILES | CC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 4'-bromoacetophenone,1-4-bromophenyl ethanone,p-bromoacetophenone,4-bromoacetophenone,ethanone, 1-4-bromophenyl,1-4-bromophenyl ethan-1-one,1-acetyl-4-bromobenzene,methyl p-bromophenyl ketone,p-bromophenyl methyl ketone,acetophenone, 4'-bromo |
| IUPAC Name | 1-(4-bromophenyl)ethanone |
| InChI Key | WYECURVXVYPVAT-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
Trimethyl orthoacetate, 98%
CAS: 1445-45-0 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.148 MDL Number: MFCD00008477 InChI Key: HDPNBNXLBDFELL-UHFFFAOYSA-N Synonym: trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate PubChem CID: 15050 IUPAC Name: 1,1,1-trimethoxyethane SMILES: CC(OC)(OC)OC
| PubChem CID | 15050 |
|---|---|
| CAS | 1445-45-0 |
| Molecular Weight (g/mol) | 120.148 |
| MDL Number | MFCD00008477 |
| SMILES | CC(OC)(OC)OC |
| Synonym | trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate |
| IUPAC Name | 1,1,1-trimethoxyethane |
| InChI Key | HDPNBNXLBDFELL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O3 |
cis-Epoxysuccinic acid, 97%
CAS: 16533-72-5 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.07 MDL Number: MFCD00191645 InChI Key: DCEMCPAKSGRHCN-XIXRPRMCSA-N Synonym: cis-epoxysuccinic acid,2r,3s-oxirane-2,3-dicarboxylic acid,cis-oxirane-2,3-dicarboxylic acid,2,3-oxiranedicarboxylic acid, 2r,3s-rel,2,3-oxiranedicarboxylic acid, 2r,3s-rel-9ci PubChem CID: 2734802 IUPAC Name: (2S,3R)-oxirane-2,3-dicarboxylic acid SMILES: C1(C(O1)C(=O)O)C(=O)O
| PubChem CID | 2734802 |
|---|---|
| CAS | 16533-72-5 |
| Molecular Weight (g/mol) | 132.07 |
| MDL Number | MFCD00191645 |
| SMILES | C1(C(O1)C(=O)O)C(=O)O |
| Synonym | cis-epoxysuccinic acid,2r,3s-oxirane-2,3-dicarboxylic acid,cis-oxirane-2,3-dicarboxylic acid,2,3-oxiranedicarboxylic acid, 2r,3s-rel,2,3-oxiranedicarboxylic acid, 2r,3s-rel-9ci |
| IUPAC Name | (2S,3R)-oxirane-2,3-dicarboxylic acid |
| InChI Key | DCEMCPAKSGRHCN-XIXRPRMCSA-N |
| Molecular Formula | C4H4O5 |
Ethyl diethoxyacetate, 97+%
CAS: 6065-82-3 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.212 MDL Number: MFCD00009231 InChI Key: XCLBIKIQSCTANZ-UHFFFAOYSA-N Synonym: ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal PubChem CID: 80169 IUPAC Name: ethyl 2,2-diethoxyacetate SMILES: CCOC(C(=O)OCC)OCC
| PubChem CID | 80169 |
|---|---|
| CAS | 6065-82-3 |
| Molecular Weight (g/mol) | 176.212 |
| MDL Number | MFCD00009231 |
| SMILES | CCOC(C(=O)OCC)OCC |
| Synonym | ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal |
| IUPAC Name | ethyl 2,2-diethoxyacetate |
| InChI Key | XCLBIKIQSCTANZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
Malonamide, 98%
CAS: 108-13-4 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00008034 InChI Key: WRIRWRKPLXCTFD-UHFFFAOYSA-N Synonym: malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide PubChem CID: 7911 IUPAC Name: propanediamide SMILES: C(C(=O)N)C(=O)N
| PubChem CID | 7911 |
|---|---|
| CAS | 108-13-4 |
| Molecular Weight (g/mol) | 102.093 |
| MDL Number | MFCD00008034 |
| SMILES | C(C(=O)N)C(=O)N |
| Synonym | malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide |
| IUPAC Name | propanediamide |
| InChI Key | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
| Molecular Formula | C3H6N2O2 |
2,4'-Dibromoacetophenone, 98+%
CAS: 99-73-0 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.943 MDL Number: MFCD00000200 InChI Key: FKJSFKCZZIXQIP-UHFFFAOYSA-N Synonym: 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene PubChem CID: 7454 IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Br
| PubChem CID | 7454 |
|---|---|
| CAS | 99-73-0 |
| Molecular Weight (g/mol) | 277.943 |
| MDL Number | MFCD00000200 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Br |
| Synonym | 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene |
| IUPAC Name | 2-bromo-1-(4-bromophenyl)ethanone |
| InChI Key | FKJSFKCZZIXQIP-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O |
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CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O
| CAS | 87-66-1 |
|---|---|
| Molecular Weight (g/mol) | 126.11 |
| MDL Number | MFCD00002192 |
| SMILES | OC1=CC=CC(O)=C1O |
| IUPAC Name | benzene-1,2,3-triol |
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |