Carbonyl compounds
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2,8-Dichlorocyclooctanone 98.0+%, TCI America™
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CAS: 108249-93-0 Molecular Formula: C8H12Cl2O Molecular Weight (g/mol): 195.083 MDL Number: MFCD06797089 InChI Key: COOPJLNDURVHCV-UHFFFAOYSA-N PubChem CID: 44630271 IUPAC Name: 2,8-dichlorocyclooctan-1-one SMILES: C1CCC(C(=O)C(CC1)Cl)Cl
| PubChem CID | 44630271 |
|---|---|
| CAS | 108249-93-0 |
| Molecular Weight (g/mol) | 195.083 |
| MDL Number | MFCD06797089 |
| SMILES | C1CCC(C(=O)C(CC1)Cl)Cl |
| IUPAC Name | 2,8-dichlorocyclooctan-1-one |
| InChI Key | COOPJLNDURVHCV-UHFFFAOYSA-N |
| Molecular Formula | C8H12Cl2O |
3,5-Dibromosalicylaldehyde 98.0+%, TCI America™
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CAS: 90-59-5 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00003318 InChI Key: JHZOXYGFQMROFJ-UHFFFAOYSA-N Synonym: 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde PubChem CID: 7024 IUPAC Name: 3,5-dibromo-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Br
| PubChem CID | 7024 |
|---|---|
| CAS | 90-59-5 |
| Molecular Weight (g/mol) | 279.915 |
| MDL Number | MFCD00003318 |
| SMILES | C1=C(C=C(C(=C1Br)O)C=O)Br |
| Synonym | 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde |
| IUPAC Name | 3,5-dibromo-2-hydroxybenzaldehyde |
| InChI Key | JHZOXYGFQMROFJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |
3-Methyl-2-butenal 97.0+%, TCI America™
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CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00010291 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C
| PubChem CID | 61020 |
|---|---|
| CAS | 107-86-8 |
| Molecular Weight (g/mol) | 84.118 |
| ChEBI | CHEBI:15825 |
| MDL Number | MFCD00010291 |
| SMILES | CC(=CC=O)C |
| Synonym | 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde |
| IUPAC Name | 3-methylbut-2-enal |
| InChI Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
6-Bromo-3-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 149806-06-4 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.01 MDL Number: MFCD04115419 InChI Key: PVUKGNBRJFTFNJ-UHFFFAOYSA-N Synonym: 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine PubChem CID: 11769234 IUPAC Name: 6-bromopyridine-3-carbaldehyde SMILES: BrC1=CC=C(C=O)C=N1
| PubChem CID | 11769234 |
|---|---|
| CAS | 149806-06-4 |
| Molecular Weight (g/mol) | 186.01 |
| MDL Number | MFCD04115419 |
| SMILES | BrC1=CC=C(C=O)C=N1 |
| Synonym | 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine |
| IUPAC Name | 6-bromopyridine-3-carbaldehyde |
| InChI Key | PVUKGNBRJFTFNJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
Chromone-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 17422-74-1 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.155 MDL Number: MFCD00014667 InChI Key: FSMYWBQIMDSGQP-UHFFFAOYSA-N Synonym: chromone-3-carboxaldehyde,3-formylchromone,4-oxo-4h-chromene-3-carbaldehyde,3-chromonecarbaldehyde,4-oxo-4h-1-benzopyran-3-carboxaldehyde,3-formylchromones,4h-1-benzopyran-3-carboxaldehyde, 4-oxo,chembl86905,3-formyl-4-oxo-4h-chromene,chromone-3-carbaldehyde PubChem CID: 87112 IUPAC Name: 4-oxochromene-3-carbaldehyde SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C=O
| PubChem CID | 87112 |
|---|---|
| CAS | 17422-74-1 |
| Molecular Weight (g/mol) | 174.155 |
| MDL Number | MFCD00014667 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=O |
| Synonym | chromone-3-carboxaldehyde,3-formylchromone,4-oxo-4h-chromene-3-carbaldehyde,3-chromonecarbaldehyde,4-oxo-4h-1-benzopyran-3-carboxaldehyde,3-formylchromones,4h-1-benzopyran-3-carboxaldehyde, 4-oxo,chembl86905,3-formyl-4-oxo-4h-chromene,chromone-3-carbaldehyde |
| IUPAC Name | 4-oxochromene-3-carbaldehyde |
| InChI Key | FSMYWBQIMDSGQP-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
3'-Bromo-4'-fluoroacetophenone 96.0+%, TCI America™
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CAS: 1007-15-4 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00042466 InChI Key: SZDWTGAORQQQGY-UHFFFAOYSA-N Synonym: 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t PubChem CID: 70508 IUPAC Name: 1-(3-bromo-4-fluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 70508 |
|---|---|
| CAS | 1007-15-4 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00042466 |
| SMILES | CC(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t |
| IUPAC Name | 1-(3-bromo-4-fluorophenyl)ethan-1-one |
| InChI Key | SZDWTGAORQQQGY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
2'-Hydroxy-4',5'-dimethylacetophenone 98.0+%, TCI America™
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CAS: 36436-65-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002306 InChI Key: YXVSURZEXVMUAM-UHFFFAOYSA-N PubChem CID: 118976 IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)C(=O)C)O)C
| PubChem CID | 118976 |
|---|---|
| CAS | 36436-65-4 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00002306 |
| SMILES | CC1=C(C=C(C(=C1)C(=O)C)O)C |
| IUPAC Name | 1-(2-hydroxy-4,5-dimethylphenyl)ethanone |
| InChI Key | YXVSURZEXVMUAM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3,5-Dimethyl-1-hexyn-3-ol 98.0+%, TCI America™
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CAS: 107-54-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.20 MDL Number: MFCD00008941 InChI Key: NECRQCBKTGZNMH-UHFFFAOYNA-N Synonym: 3,5-dimethyl-1-hexyn-3-ol,surfynol,surfynol 61,1-hexyn-3-ol, 3,5-dimethyl,surfynol van,sialyl-3-paragloboside,acmc-2098wy,dsstox_cid_21472,dsstox_rid_79746,dsstox_gsid_41472 PubChem CID: 61018 IUPAC Name: 3,5-dimethylhex-1-yn-3-ol SMILES: CC(C)CC(C)(O)C#C
| PubChem CID | 61018 |
|---|---|
| CAS | 107-54-0 |
| Molecular Weight (g/mol) | 126.20 |
| MDL Number | MFCD00008941 |
| SMILES | CC(C)CC(C)(O)C#C |
| Synonym | 3,5-dimethyl-1-hexyn-3-ol,surfynol,surfynol 61,1-hexyn-3-ol, 3,5-dimethyl,surfynol van,sialyl-3-paragloboside,acmc-2098wy,dsstox_cid_21472,dsstox_rid_79746,dsstox_gsid_41472 |
| IUPAC Name | 3,5-dimethylhex-1-yn-3-ol |
| InChI Key | NECRQCBKTGZNMH-UHFFFAOYNA-N |
| Molecular Formula | C8H14O |
2,3-Dihydrobenzofuran-5-carboxaldehyde 96.0+%, TCI America™
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CAS: 55745-70-5 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00068058 InChI Key: WEBVDBDZSOJGPB-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde PubChem CID: 735901 IUPAC Name: 2,3-dihydro-1-benzofuran-5-carbaldehyde SMILES: O=CC1=CC=C2OCCC2=C1
| PubChem CID | 735901 |
|---|---|
| CAS | 55745-70-5 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00068058 |
| SMILES | O=CC1=CC=C2OCCC2=C1 |
| Synonym | 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde |
| IUPAC Name | 2,3-dihydro-1-benzofuran-5-carbaldehyde |
| InChI Key | WEBVDBDZSOJGPB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
4-Bromoindole-3-carboxaldehyde 96.0+%, TCI America™
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CAS: 98600-34-1 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 InChI Key: IPAFHZDRYAWZOB-UHFFFAOYSA-N Synonym: 4-bromoindole-3-carboxaldehyde,4-bromoindole-3-carboxyaldehyde,4-bromo-3-formylindole,4-bromo-1h-indole-3-carboxaldehyde,4-bromoindole-3-carbaldehyde,4-bromo-3-formyl-1h-indole,1h-indole-3-carboxaldehyde, 4-bromo,4-bromo-3-indolecarbaldehyde,pubchem7682,acmc-209saq PubChem CID: 2763178 IUPAC Name: 4-bromo-1H-indole-3-carbaldehyde SMILES: C1=CC2=C(C(=C1)Br)C(=CN2)C=O
| PubChem CID | 2763178 |
|---|---|
| CAS | 98600-34-1 |
| Molecular Weight (g/mol) | 224.057 |
| SMILES | C1=CC2=C(C(=C1)Br)C(=CN2)C=O |
| Synonym | 4-bromoindole-3-carboxaldehyde,4-bromoindole-3-carboxyaldehyde,4-bromo-3-formylindole,4-bromo-1h-indole-3-carboxaldehyde,4-bromoindole-3-carbaldehyde,4-bromo-3-formyl-1h-indole,1h-indole-3-carboxaldehyde, 4-bromo,4-bromo-3-indolecarbaldehyde,pubchem7682,acmc-209saq |
| IUPAC Name | 4-bromo-1H-indole-3-carbaldehyde |
| InChI Key | IPAFHZDRYAWZOB-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
2-Bromo-5-hydroxybenzaldehyde 97.0+%, TCI America™
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CAS: 2973-80-0 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD03033065 InChI Key: SCRQAWQJSSKCFN-UHFFFAOYSA-N Synonym: 4-bromo-3-formylphenol,2-bromo-5-hydroxy-benzaldehyde,2-bromo-5-hydroxy benzaldehyde,benzaldehyde, 2-bromo-5-hydroxy,2-bromo-5-hydroxybenzadehyde,benzaldehyde,2-bromo-5-hydroxy,pubchem14430,acmc-209haw,6-brom-3-oxy-benzaldehyd PubChem CID: 387179 IUPAC Name: 2-bromo-5-hydroxybenzaldehyde SMILES: OC1=CC(C=O)=C(Br)C=C1
| PubChem CID | 387179 |
|---|---|
| CAS | 2973-80-0 |
| Molecular Weight (g/mol) | 201.02 |
| MDL Number | MFCD03033065 |
| SMILES | OC1=CC(C=O)=C(Br)C=C1 |
| Synonym | 4-bromo-3-formylphenol,2-bromo-5-hydroxy-benzaldehyde,2-bromo-5-hydroxy benzaldehyde,benzaldehyde, 2-bromo-5-hydroxy,2-bromo-5-hydroxybenzadehyde,benzaldehyde,2-bromo-5-hydroxy,pubchem14430,acmc-209haw,6-brom-3-oxy-benzaldehyd |
| IUPAC Name | 2-bromo-5-hydroxybenzaldehyde |
| InChI Key | SCRQAWQJSSKCFN-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
Methyl 3-Benzoylpropionate 98.0+%, TCI America™
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CAS: 25333-24-8 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00014906 InChI Key: XVRCVKWYKYJEIG-UHFFFAOYSA-N Synonym: methyl 3-benzoylpropionate,3-benzoylpropionic acid methyl ester,propionic acid, 3-benzoyl-, methyl ester,methyl 4-oxo-4-phenylbutyrate,benzenebutanoic acid, gamma-oxo-, methyl ester,benzenebutanoic acid, .gamma.-oxo-, methyl ester,benzenebutanoic acid, g-oxo-, methyl ester,acmc-209gja,methyl3-benzoylpropionate,methyl-3-benzoylpropionate PubChem CID: 141190 IUPAC Name: methyl 4-oxo-4-phenylbutanoate SMILES: COC(=O)CCC(=O)C1=CC=CC=C1
| PubChem CID | 141190 |
|---|---|
| CAS | 25333-24-8 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00014906 |
| SMILES | COC(=O)CCC(=O)C1=CC=CC=C1 |
| Synonym | methyl 3-benzoylpropionate,3-benzoylpropionic acid methyl ester,propionic acid, 3-benzoyl-, methyl ester,methyl 4-oxo-4-phenylbutyrate,benzenebutanoic acid, gamma-oxo-, methyl ester,benzenebutanoic acid, .gamma.-oxo-, methyl ester,benzenebutanoic acid, g-oxo-, methyl ester,acmc-209gja,methyl3-benzoylpropionate,methyl-3-benzoylpropionate |
| IUPAC Name | methyl 4-oxo-4-phenylbutanoate |
| InChI Key | XVRCVKWYKYJEIG-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Pipamperone 98.0+%, TCI America™
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CAS: 1893-33-0 Molecular Formula: C21H30FN3O2 Molecular Weight (g/mol): 375.488 MDL Number: MFCD00242979 InChI Key: AXKPFOAXAHJUAG-UHFFFAOYSA-N Synonym: Floropipamide, 1′-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4′-bipiperidine]-4′-carboxamide PubChem CID: 4830 ChEBI: CHEBI:78549 IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide SMILES: C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N
| PubChem CID | 4830 |
|---|---|
| CAS | 1893-33-0 |
| Molecular Weight (g/mol) | 375.488 |
| ChEBI | CHEBI:78549 |
| MDL Number | MFCD00242979 |
| SMILES | C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N |
| Synonym | Floropipamide, 1′-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4′-bipiperidine]-4′-carboxamide |
| IUPAC Name | 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide |
| InChI Key | AXKPFOAXAHJUAG-UHFFFAOYSA-N |
| Molecular Formula | C21H30FN3O2 |
2',4',6'-Trihydroxy-2-phenylacetophenone 96.0+%, TCI America™
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CAS: 727-71-9 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.25 MDL Number: MFCD00205539 InChI Key: SLHBRIIHMDJIBT-UHFFFAOYSA-N Synonym: Benzyl 2,4,6-Trihydroxyphenyl Ketone PubChem CID: 689111 IUPAC Name: 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethan-1-one SMILES: OC1=CC(O)=C(C(=O)CC2=CC=CC=C2)C(O)=C1
| PubChem CID | 689111 |
|---|---|
| CAS | 727-71-9 |
| Molecular Weight (g/mol) | 244.25 |
| MDL Number | MFCD00205539 |
| SMILES | OC1=CC(O)=C(C(=O)CC2=CC=CC=C2)C(O)=C1 |
| Synonym | Benzyl 2,4,6-Trihydroxyphenyl Ketone |
| IUPAC Name | 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethan-1-one |
| InChI Key | SLHBRIIHMDJIBT-UHFFFAOYSA-N |
| Molecular Formula | C14H12O4 |
trans-2-Methyl-2-pentenal 97.0+%, TCI America™
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CAS: 14250-96-5 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00006978 InChI Key: IDEYZABHVQLHAF-GQCTYLIASA-N PubChem CID: 5319754 IUPAC Name: (E)-2-methylpent-2-enal SMILES: CCC=C(C)C=O
| PubChem CID | 5319754 |
|---|---|
| CAS | 14250-96-5 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00006978 |
| SMILES | CCC=C(C)C=O |
| IUPAC Name | (E)-2-methylpent-2-enal |
| InChI Key | IDEYZABHVQLHAF-GQCTYLIASA-N |
| Molecular Formula | C6H10O |