Carbonyl compounds
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Malonic acid disodium salt, 99%
CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 8865 |
|---|---|
| CAS | 141-95-7 |
| Molecular Weight (g/mol) | 148.025 |
| ChEBI | CHEBI:62983 |
| MDL Number | MFCD00002708 |
| SMILES | C(C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt |
| IUPAC Name | disodium;propanedioate |
| InChI Key | PRWXGRGLHYDWPS-UHFFFAOYSA-L |
| Molecular Formula | C3H2Na2O4 |
D(-)-Fructose, specified according the requirements of USP
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 5984 |
|---|---|
| CAS | 57-48-7 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:48095 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
Hydrindantin dihydrate, 96%
CAS: 5950-69-6 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.29 MDL Number: MFCD00149242 InChI Key: QHVADKNWNMILPQ-HOTGVXAUSA-N Synonym: 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one PubChem CID: 6560392 IUPAC Name: (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one SMILES: C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O
| PubChem CID | 6560392 |
|---|---|
| CAS | 5950-69-6 |
| Molecular Weight (g/mol) | 358.29 |
| MDL Number | MFCD00149242 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O |
| Synonym | 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one |
| IUPAC Name | (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one |
| InChI Key | QHVADKNWNMILPQ-HOTGVXAUSA-N |
| Molecular Formula | C18H14O8 |
3-Pyridinecarboxaldehyde, 98%
CAS: 500-22-1 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.11 InChI Key: QJZUKDFHGGYHMC-UHFFFAOYSA-N Synonym: 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde PubChem CID: 10371 ChEBI: CHEBI:28345 IUPAC Name: pyridine-3-carbaldehyde SMILES: C1=CC(=CN=C1)C=O
| PubChem CID | 10371 |
|---|---|
| CAS | 500-22-1 |
| Molecular Weight (g/mol) | 107.11 |
| ChEBI | CHEBI:28345 |
| SMILES | C1=CC(=CN=C1)C=O |
| Synonym | 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde |
| IUPAC Name | pyridine-3-carbaldehyde |
| InChI Key | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
trans-2-Methyl-2-butenal, 98%
CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O
| PubChem CID | 5321950 |
|---|---|
| CAS | 497-03-0 |
| Molecular Weight (g/mol) | 84.12 |
| MDL Number | MFCD00006977 |
| SMILES | CC=C(C)C=O |
| Synonym | tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e |
| IUPAC Name | (E)-2-methylbut-2-enal |
| InChI Key | ACWQBUSCFPJUPN-HWKANZROSA-N |
| Molecular Formula | C5H8O |
2,6-Dichloroindophenol sodium salt, MP Biomedicals™
CAS: 620-45-1 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzen-1-olate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
| PubChem CID | 23697355 |
|---|---|
| CAS | 620-45-1 |
| Molecular Weight (g/mol) | 290.07 |
| ChEBI | CHEBI:948 |
| MDL Number | MFCD00150014 |
| SMILES | [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1 |
| Synonym | 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt |
| IUPAC Name | sodium 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzen-1-olate |
| InChI Key | FHLDWQLHDYCXKI-UHFFFAOYSA-M |
| Molecular Formula | C12H6Cl2NNaO2 |
Heptaldehyde, 95%, stabilized
CAS: 111-71-7 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00007028 InChI Key: FXHGMKSSBGDXIY-UHFFFAOYSA-N Synonym: heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal PubChem CID: 8130 ChEBI: CHEBI:34787 IUPAC Name: heptanal SMILES: CCCCCCC=O
| PubChem CID | 8130 |
|---|---|
| CAS | 111-71-7 |
| Molecular Weight (g/mol) | 114.19 |
| ChEBI | CHEBI:34787 |
| MDL Number | MFCD00007028 |
| SMILES | CCCCCCC=O |
| Synonym | heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal |
| IUPAC Name | heptanal |
| InChI Key | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
Isobutyraldehyde, 98%
CAS: 78-84-2 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00006980 InChI Key: AMIMRNSIRUDHCM-UHFFFAOYSA-N Synonym: isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde PubChem CID: 6561 ChEBI: CHEBI:48943 IUPAC Name: 2-methylpropanal SMILES: CC(C)C=O
| PubChem CID | 6561 |
|---|---|
| CAS | 78-84-2 |
| Molecular Weight (g/mol) | 72.11 |
| ChEBI | CHEBI:48943 |
| MDL Number | MFCD00006980 |
| SMILES | CC(C)C=O |
| Synonym | isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde |
| IUPAC Name | 2-methylpropanal |
| InChI Key | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
2-Furaldehyde, 99%
CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1
| PubChem CID | 7362 |
|---|---|
| CAS | 98-01-1 |
| Molecular Weight (g/mol) | 96.09 |
| ChEBI | CHEBI:34768 |
| MDL Number | MFCD00003229 |
| SMILES | O=CC1=CC=CO1 |
| Synonym | furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural |
| IUPAC Name | furan-2-carbaldehyde |
| InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
5'-Bromo-2'-hydroxyacetophenone, 98%
CAS: 1450-75-5 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00191850 InChI Key: HQCCNFFIOWYINW-UHFFFAOYSA-N Synonym: 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon PubChem CID: 95991 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Br)O
| PubChem CID | 95991 |
|---|---|
| CAS | 1450-75-5 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00191850 |
| SMILES | CC(=O)C1=C(C=CC(=C1)Br)O |
| Synonym | 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)ethanone |
| InChI Key | HQCCNFFIOWYINW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
3-Hydroxybenzaldehyde, 97%
CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O
| PubChem CID | 101 |
|---|---|
| CAS | 100-83-4 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:16207 |
| MDL Number | MFCD00003368 |
| SMILES | C1=CC(=CC(=C1)O)C=O |
| Synonym | m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde |
| IUPAC Name | 3-hydroxybenzaldehyde |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Hexanal 98.0+%, TCI America™
CAS: 66-25-1 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00007027 InChI Key: JARKCYVAAOWBJS-UHFFFAOYSA-N Synonym: caproaldehyde,hexaldehyde,caproic aldehyde,capronaldehyde,1-hexanal,n-hexanal,hexanaldehyde,n-caproaldehyde,hexylaldehyde,aldehyde c-6 PubChem CID: 6184 IUPAC Name: hexanal SMILES: CCCCCC=O
| PubChem CID | 6184 |
|---|---|
| CAS | 66-25-1 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00007027 |
| SMILES | CCCCCC=O |
| Synonym | caproaldehyde,hexaldehyde,caproic aldehyde,capronaldehyde,1-hexanal,n-hexanal,hexanaldehyde,n-caproaldehyde,hexylaldehyde,aldehyde c-6 |
| IUPAC Name | hexanal |
| InChI Key | JARKCYVAAOWBJS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
5-(Hydroxymethyl)furfural, 98%
CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO
| PubChem CID | 237332 |
|---|---|
| CAS | 67-47-0 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:412516 |
| SMILES | C1=C(OC(=C1)C=O)CO |
| Synonym | 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| InChI Key | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Propionaldehyde, 99+%, AcroSeal™
CAS: 123-38-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00007020 InChI Key: NBBJYMSMWIIQGU-UHFFFAOYSA-N Synonym: propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique PubChem CID: 527 ChEBI: CHEBI:17153 IUPAC Name: propanal SMILES: CCC=O
| PubChem CID | 527 |
|---|---|
| CAS | 123-38-6 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:17153 |
| MDL Number | MFCD00007020 |
| SMILES | CCC=O |
| Synonym | propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique |
| IUPAC Name | propanal |
| InChI Key | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |
alpha-Ionone, 90+%
CAS: 127-41-3 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.30 MDL Number: MFCD00001565 InChI Key: UZFLPKAIBPNNCA-BQYQJAHWNA-N Synonym: alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha PubChem CID: 5282108 ChEBI: CHEBI:32319 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1C(C)=CCCC1(C)C
| PubChem CID | 5282108 |
|---|---|
| CAS | 127-41-3 |
| Molecular Weight (g/mol) | 192.30 |
| ChEBI | CHEBI:32319 |
| MDL Number | MFCD00001565 |
| SMILES | CC(=O)\C=C\C1C(C)=CCCC1(C)C |
| Synonym | alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha |
| IUPAC Name | (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| InChI Key | UZFLPKAIBPNNCA-BQYQJAHWNA-N |
| Molecular Formula | C13H20O |