Organooxygen compounds
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Diethyl (2-Cyanoethyl)malonate 98.0+%, TCI America™
CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N Synonym: diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162 PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC
| PubChem CID | 87005 |
|---|---|
| CAS | 17216-62-5 |
| Molecular Weight (g/mol) | 213.233 |
| MDL Number | MFCD00001966 |
| SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
| Synonym | diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162 |
| IUPAC Name | diethyl 2-(2-cyanoethyl)propanedioate |
| InChI Key | YJJLOESDBPRZIP-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO4 |
Diethyl Benzylmalonate 98.0+%, TCI America™
CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 69090 |
|---|---|
| CAS | 607-81-8 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD00009166 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate |
| IUPAC Name | diethyl 2-benzylpropanedioate |
| InChI Key | ICZLTZWATFXDLP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
3-Thiophenemalonic Acid 98.0+%, TCI America™
CAS: 21080-92-2 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.17 MDL Number: MFCD00005469 InChI Key: GCOOGCQWQFRJEK-UHFFFAOYSA-L Synonym: 3-thiophenemalonic acid,3-thienylmalonic acid,2-thiophen-3-yl malonic acid,propanedioic acid, 3-thienyl,3-thiophene malonic acid,3-thienylpropanedioic acid,3-thienyl malonic acid,thiophene-3-malonic acid,2-3-thienyl malonic acid,2-3-thienyl propanedioic acid PubChem CID: 88782 IUPAC Name: 2-(thiophen-3-yl)propanedioate SMILES: [O-]C(=O)C(C([O-])=O)C1=CSC=C1
| PubChem CID | 88782 |
|---|---|
| CAS | 21080-92-2 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD00005469 |
| SMILES | [O-]C(=O)C(C([O-])=O)C1=CSC=C1 |
| Synonym | 3-thiophenemalonic acid,3-thienylmalonic acid,2-thiophen-3-yl malonic acid,propanedioic acid, 3-thienyl,3-thiophene malonic acid,3-thienylpropanedioic acid,3-thienyl malonic acid,thiophene-3-malonic acid,2-3-thienyl malonic acid,2-3-thienyl propanedioic acid |
| IUPAC Name | 2-(thiophen-3-yl)propanedioate |
| InChI Key | GCOOGCQWQFRJEK-UHFFFAOYSA-L |
| Molecular Formula | C7H4O4S |
Dibutyl Malonate 99.0+%, TCI America™
CAS: 1190-39-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00053795 InChI Key: NFKGQHYUYGYHIS-UHFFFAOYSA-N Synonym: Malonic Acid Dibutyl Ester PubChem CID: 136925 IUPAC Name: 1,3-dibutyl propanedioate SMILES: CCCCOC(=O)CC(=O)OCCCC
| PubChem CID | 136925 |
|---|---|
| CAS | 1190-39-2 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00053795 |
| SMILES | CCCCOC(=O)CC(=O)OCCCC |
| Synonym | Malonic Acid Dibutyl Ester |
| IUPAC Name | 1,3-dibutyl propanedioate |
| InChI Key | NFKGQHYUYGYHIS-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
3-Pentyl Acetoacetate 97.0+%, TCI America™
CAS: 13562-81-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00059415 InChI Key: PFTIWTQFHWICDR-UHFFFAOYSA-N Synonym: Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester PubChem CID: 14677137 IUPAC Name: pentan-3-yl 3-oxobutanoate SMILES: CCC(CC)OC(=O)CC(=O)C
| PubChem CID | 14677137 |
|---|---|
| CAS | 13562-81-7 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00059415 |
| SMILES | CCC(CC)OC(=O)CC(=O)C |
| Synonym | Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester |
| IUPAC Name | pentan-3-yl 3-oxobutanoate |
| InChI Key | PFTIWTQFHWICDR-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Mono-4-nitrobenzyl Malonate 98.0+%, TCI America™
CAS: 77359-11-6 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00191556 InChI Key: RIGFMUNSTCPGNP-UHFFFAOYSA-N Synonym: Malonic Acid Mono-4-nitrobenzyl Ester, 4-Nitrobenzyl Hydrogen Malonate PubChem CID: 592642 SMILES: C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]
| PubChem CID | 592642 |
|---|---|
| CAS | 77359-11-6 |
| Molecular Weight (g/mol) | 239.183 |
| MDL Number | MFCD00191556 |
| SMILES | C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-] |
| Synonym | Malonic Acid Mono-4-nitrobenzyl Ester, 4-Nitrobenzyl Hydrogen Malonate |
| InChI Key | RIGFMUNSTCPGNP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
Ethyl Diformylacetate 97.0+%, TCI America™
CAS: 80370-42-9 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD11112084 InChI Key: HMFLBGNCDZYITR-UHFFFAOYSA-N Synonym: Diformylacetic Acid Ethyl Ester, Ethyl 2-Formyl-3-oxopropionate, 2-Formyl-3-oxopropionic Acid Ethyl Ester PubChem CID: 11029955 IUPAC Name: ethyl 2-formyl-3-oxopropanoate SMILES: CCOC(=O)C(C=O)C=O
| PubChem CID | 11029955 |
|---|---|
| CAS | 80370-42-9 |
| Molecular Weight (g/mol) | 144.126 |
| MDL Number | MFCD11112084 |
| SMILES | CCOC(=O)C(C=O)C=O |
| Synonym | Diformylacetic Acid Ethyl Ester, Ethyl 2-Formyl-3-oxopropionate, 2-Formyl-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-formyl-3-oxopropanoate |
| InChI Key | HMFLBGNCDZYITR-UHFFFAOYSA-N |
| Molecular Formula | C6H8O4 |
Ethyl 3-Oxohexanoate 95.0+%, TCI America™
CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC
| PubChem CID | 238498 |
|---|---|
| CAS | 3249-68-1 |
| Molecular Weight (g/mol) | 158.20 |
| ChEBI | CHEBI:18119 |
| MDL Number | MFCD00009401 |
| SMILES | CCCC(=O)CC(=O)OCC |
| Synonym | ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 |
| IUPAC Name | ethyl 3-oxohexanoate |
| InChI Key | KQWWVLVLVYYYDT-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Diisopropyl Malonate 99.0+%, TCI America™
CAS: 13195-64-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00059359 InChI Key: QRVSDVDFJFKYKA-UHFFFAOYSA-N Synonym: Malonic Acid Diisopropyl Ester PubChem CID: 83223 IUPAC Name: dipropan-2-yl propanedioate SMILES: CC(C)OC(=O)CC(=O)OC(C)C
| PubChem CID | 83223 |
|---|---|
| CAS | 13195-64-7 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00059359 |
| SMILES | CC(C)OC(=O)CC(=O)OC(C)C |
| Synonym | Malonic Acid Diisopropyl Ester |
| IUPAC Name | dipropan-2-yl propanedioate |
| InChI Key | QRVSDVDFJFKYKA-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
6-Methoxy-2-naphthaldehyde 97.0+%, TCI America™
CAS: 3453-33-6 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00081152 InChI Key: VZBLASFLFFMMCM-UHFFFAOYSA-N Synonym: 6-methoxy-2-naphthaldehyde,6-methoxy-2-naphthalaldehyde,unii-9244l5l5zy,6-methoxy-naphthalene-2-carbaldehyde,2-naphthalenecarboxaldehyde, 6-methoxy,pubchem13704,acmc-1ah4r,6-methoxy-2-napthaldehyde,dsstox_cid_31510,dsstox_rid_97395 PubChem CID: 76991 IUPAC Name: 6-methoxynaphthalene-2-carbaldehyde SMILES: COC1=CC=C2C=C(C=O)C=CC2=C1
| PubChem CID | 76991 |
|---|---|
| CAS | 3453-33-6 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00081152 |
| SMILES | COC1=CC=C2C=C(C=O)C=CC2=C1 |
| Synonym | 6-methoxy-2-naphthaldehyde,6-methoxy-2-naphthalaldehyde,unii-9244l5l5zy,6-methoxy-naphthalene-2-carbaldehyde,2-naphthalenecarboxaldehyde, 6-methoxy,pubchem13704,acmc-1ah4r,6-methoxy-2-napthaldehyde,dsstox_cid_31510,dsstox_rid_97395 |
| IUPAC Name | 6-methoxynaphthalene-2-carbaldehyde |
| InChI Key | VZBLASFLFFMMCM-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
2,4-Dichlorobenzaldehyde 95.0+%, TCI America™
CAS: 874-42-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003305 InChI Key: YSFBEAASFUWWHU-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 PubChem CID: 13404 IUPAC Name: 2,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)Cl)C=O
| PubChem CID | 13404 |
|---|---|
| CAS | 874-42-0 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003305 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=O |
| Synonym | benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 |
| IUPAC Name | 2,4-dichlorobenzaldehyde |
| InChI Key | YSFBEAASFUWWHU-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
3-Methylsalicylaldehyde 98.0+%, TCI America™
CAS: 824-42-0 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00040798 InChI Key: IPPQNXSAJZOTJZ-UHFFFAOYSA-N Synonym: 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol PubChem CID: 522777 ChEBI: CHEBI:20110 IUPAC Name: 2-hydroxy-3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1O)C=O
| PubChem CID | 522777 |
|---|---|
| CAS | 824-42-0 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:20110 |
| MDL Number | MFCD00040798 |
| SMILES | CC1=CC=CC(=C1O)C=O |
| Synonym | 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol |
| IUPAC Name | 2-hydroxy-3-methylbenzaldehyde |
| InChI Key | IPPQNXSAJZOTJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-Decyloxybenzaldehyde 97.0+%, TCI America™
CAS: 24083-16-7 Molecular Formula: C17H26O2 Molecular Weight (g/mol): 262.39 MDL Number: MFCD00021072 InChI Key: WOSYBKJRUQJISL-UHFFFAOYSA-N PubChem CID: 141068 IUPAC Name: 4-(decyloxy)benzaldehyde SMILES: CCCCCCCCCCOC1=CC=C(C=O)C=C1
| PubChem CID | 141068 |
|---|---|
| CAS | 24083-16-7 |
| Molecular Weight (g/mol) | 262.39 |
| MDL Number | MFCD00021072 |
| SMILES | CCCCCCCCCCOC1=CC=C(C=O)C=C1 |
| IUPAC Name | 4-(decyloxy)benzaldehyde |
| InChI Key | WOSYBKJRUQJISL-UHFFFAOYSA-N |
| Molecular Formula | C17H26O2 |
trans-2-Dodecenal 90.0+%, TCI America™
CAS: 20407-84-5 Molecular Formula: C12H22O Molecular Weight (g/mol): 182.307 MDL Number: MFCD00014674 InChI Key: SSNZFFBDIMUILS-ZHACJKMWSA-N PubChem CID: 5283361 IUPAC Name: (E)-dodec-2-enal SMILES: CCCCCCCCCC=CC=O
| PubChem CID | 5283361 |
|---|---|
| CAS | 20407-84-5 |
| Molecular Weight (g/mol) | 182.307 |
| MDL Number | MFCD00014674 |
| SMILES | CCCCCCCCCC=CC=O |
| IUPAC Name | (E)-dodec-2-enal |
| InChI Key | SSNZFFBDIMUILS-ZHACJKMWSA-N |
| Molecular Formula | C12H22O |
3,4-Dibenzyloxybenzaldehyde 98.0+%, TCI America™
CAS: 5447-02-9 Molecular Formula: C21H18O3 Molecular Weight (g/mol): 318.37 MDL Number: MFCD00004776 InChI Key: XDDLXZHBWVFPRG-UHFFFAOYSA-N Synonym: 3,4-Bis(benzyloxy)benzaldehyde PubChem CID: 79526 IUPAC Name: 3,4-bis(phenylmethoxy)benzaldehyde SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3
| PubChem CID | 79526 |
|---|---|
| CAS | 5447-02-9 |
| Molecular Weight (g/mol) | 318.37 |
| MDL Number | MFCD00004776 |
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3 |
| Synonym | 3,4-Bis(benzyloxy)benzaldehyde |
| IUPAC Name | 3,4-bis(phenylmethoxy)benzaldehyde |
| InChI Key | XDDLXZHBWVFPRG-UHFFFAOYSA-N |
| Molecular Formula | C21H18O3 |