Carbonyl compounds
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4'-Hydroxyacetophenone, 99%
CAS: 99-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002359 InChI Key: TXFPEBPIARQUIG-UHFFFAOYSA-N Synonym: 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone PubChem CID: 7469 ChEBI: CHEBI:28032 IUPAC Name: 1-(4-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(O)C=C1
| PubChem CID | 7469 |
|---|---|
| CAS | 99-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28032 |
| MDL Number | MFCD00002359 |
| SMILES | CC(=O)C1=CC=C(O)C=C1 |
| Synonym | 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone |
| IUPAC Name | 1-(4-hydroxyphenyl)ethanone |
| InChI Key | TXFPEBPIARQUIG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
L-Kynurenine
CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
| PubChem CID | 161166 |
|---|---|
| CAS | 2922-83-0 |
| Molecular Weight (g/mol) | 208.22 |
| ChEBI | CHEBI:16946 |
| MDL Number | MFCD00069912 |
| SMILES | N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O |
| Synonym | l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid |
| IUPAC Name | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| InChI Key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| Molecular Formula | C10H12N2O3 |
Thermo Scientific Chemicals D(+)-Maltose monohydrate, 92+%
CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
| CAS | 6363-53-7 |
|---|---|
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00149343 |
| SMILES | O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O |
| Synonym | d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra |
| IUPAC Name | 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | HBDJFVFTHLOSDW-UHFFFAOYNA-N |
| Molecular Formula | C12H24O12 |
| Linear Formula | OHC(CH2)3CHO |
|---|---|
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| Physical Form | Solution |
| Chemical Name or Material | Glutaric dialdehyde |
| SMILES | O=CCCCC=O |
| Merck Index | 15, 4508 |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Density | 1.0600g/mL |
| Vapor Pressure | 16.4mmHg at 20°C |
| PubChem CID | 3485 |
| Fieser | 01,411 |
| CAS | 7732-18-5 |
| MDL Number | MFCD00007025 |
| pH | 3.2 to 4.2 |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| Beilstein | 01, 776 |
| Molecular Formula | C5H8O2 |
| Formula Weight | 100.12 |
Veratraldehyde, 99%
CAS: 120-14-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003363 InChI Key: WJUFSDZVCOTFON-UHFFFAOYSA-N Synonym: veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin PubChem CID: 8419 ChEBI: CHEBI:17098 IUPAC Name: 3,4-dimethoxybenzaldehyde SMILES: COC1=CC=C(C=O)C=C1OC
| PubChem CID | 8419 |
|---|---|
| CAS | 120-14-9 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:17098 |
| MDL Number | MFCD00003363 |
| SMILES | COC1=CC=C(C=O)C=C1OC |
| Synonym | veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin |
| IUPAC Name | 3,4-dimethoxybenzaldehyde |
| InChI Key | WJUFSDZVCOTFON-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,4-Dichlorobenzaldehyde, 98%
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 |
4'-Hydroxy-3'-methoxyacetophenone, 98%
CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O
| PubChem CID | 2214 |
|---|---|
| CAS | 498-02-2 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:2781 |
| MDL Number | MFCD00008747 |
| SMILES | COC1=CC(=CC=C1O)C(C)=O |
| Synonym | acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon |
| IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
| InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
6,7-Dihydro-4(5H)-benzofuranone, 98%
CAS: 16806-93-2 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00215511 InChI Key: DXWQOYPYNPSVRL-UHFFFAOYSA-N Synonym: 6,7-dihydro-4 5h-benzofuranone,6,7-dihydrobenzofuran-4 5h-one,4,5,6,7-tetrahydro-1-benzofuran-4-one,6,7-dihydro-1-benzofuran-4 5h-one,4 5h-benzofuranone, 6,7-dihydro,pubchem14044,6,7-dihydro-4 5h benzo-furanone,6,7-dihydro-5h-benzofuran-4-one,6?7-dihydro-4 5h-benzofuranone,6,7-dihydro-4-5h-benzofuranone PubChem CID: 2733541 IUPAC Name: 6,7-dihydro-5H-1-benzofuran-4-one SMILES: C1CC2=C(C=CO2)C(=O)C1
| PubChem CID | 2733541 |
|---|---|
| CAS | 16806-93-2 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00215511 |
| SMILES | C1CC2=C(C=CO2)C(=O)C1 |
| Synonym | 6,7-dihydro-4 5h-benzofuranone,6,7-dihydrobenzofuran-4 5h-one,4,5,6,7-tetrahydro-1-benzofuran-4-one,6,7-dihydro-1-benzofuran-4 5h-one,4 5h-benzofuranone, 6,7-dihydro,pubchem14044,6,7-dihydro-4 5h benzo-furanone,6,7-dihydro-5h-benzofuran-4-one,6?7-dihydro-4 5h-benzofuranone,6,7-dihydro-4-5h-benzofuranone |
| IUPAC Name | 6,7-dihydro-5H-1-benzofuran-4-one |
| InChI Key | DXWQOYPYNPSVRL-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
3-Methylbenzo[b]thiophene-2-carboxaldehyde, 98%
CAS: 22053-74-3 Molecular Formula: C10H8OS Molecular Weight (g/mol): 176.233 MDL Number: MFCD00052307 InChI Key: DRZGHNXLEQHVHB-UHFFFAOYSA-N Synonym: 3-methylbenzo b thiophene-2-carboxaldehyde,3-methylbenzo b thiophene-2-carbaldehyde,3-methyl-benzo b thiophene-2-carbaldehyde,pubchem7453,acmc-20an0e,3-methylthianaphthene-2-carboxaldehyde,3-methyl-2-benzothiophenecarboxaldehyde,3-methyl benzo b thiophene-2-carbaldehyde,3-methylbenzo b thiophene-2 carboxaldehyde PubChem CID: 519918 IUPAC Name: 3-methyl-1-benzothiophene-2-carbaldehyde SMILES: CC1=C(SC2=CC=CC=C12)C=O
| PubChem CID | 519918 |
|---|---|
| CAS | 22053-74-3 |
| Molecular Weight (g/mol) | 176.233 |
| MDL Number | MFCD00052307 |
| SMILES | CC1=C(SC2=CC=CC=C12)C=O |
| Synonym | 3-methylbenzo b thiophene-2-carboxaldehyde,3-methylbenzo b thiophene-2-carbaldehyde,3-methyl-benzo b thiophene-2-carbaldehyde,pubchem7453,acmc-20an0e,3-methylthianaphthene-2-carboxaldehyde,3-methyl-2-benzothiophenecarboxaldehyde,3-methyl benzo b thiophene-2-carbaldehyde,3-methylbenzo b thiophene-2 carboxaldehyde |
| IUPAC Name | 3-methyl-1-benzothiophene-2-carbaldehyde |
| InChI Key | DRZGHNXLEQHVHB-UHFFFAOYSA-N |
| Molecular Formula | C10H8OS |
Butyraldehyde, 99%
CAS: 123-72-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00007023 InChI Key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N Synonym: butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal PubChem CID: 261 ChEBI: CHEBI:15743 IUPAC Name: butanal SMILES: CCCC=O
| PubChem CID | 261 |
|---|---|
| CAS | 123-72-8 |
| Molecular Weight (g/mol) | 72.11 |
| ChEBI | CHEBI:15743 |
| MDL Number | MFCD00007023 |
| SMILES | CCCC=O |
| Synonym | butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal |
| IUPAC Name | butanal |
| InChI Key | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
4-Hydroxybenzaldehyde, 98%
CAS: 123-08-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00006939 InChI Key: RGHHSNMVTDWUBI-UHFFFAOYSA-N Synonym: p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde PubChem CID: 126 ChEBI: CHEBI:17597 IUPAC Name: 4-hydroxybenzaldehyde SMILES: C1=CC(=CC=C1C=O)O
| PubChem CID | 126 |
|---|---|
| CAS | 123-08-0 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:17597 |
| MDL Number | MFCD00006939 |
| SMILES | C1=CC(=CC=C1C=O)O |
| Synonym | p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde |
| IUPAC Name | 4-hydroxybenzaldehyde |
| InChI Key | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Tridecanal, 96%, stab.
CAS: 10486-19-8 Molecular Formula: C13H26O Molecular Weight (g/mol): 198.35 MDL Number: MFCD00007018 InChI Key: BGEHHAVMRVXCGR-UHFFFAOYSA-N Synonym: tridecyl aldehyde,tridecanaldehyde,1-tridecanal,n-tridecylaldehyde,n-tridecanal,tridecane aldehyde,tridecanealdehyde,aldehyde c-13,technical,tridecanal PubChem CID: 25311 IUPAC Name: tridecanal SMILES: CCCCCCCCCCCCC=O
| PubChem CID | 25311 |
|---|---|
| CAS | 10486-19-8 |
| Molecular Weight (g/mol) | 198.35 |
| MDL Number | MFCD00007018 |
| SMILES | CCCCCCCCCCCCC=O |
| Synonym | tridecyl aldehyde,tridecanaldehyde,1-tridecanal,n-tridecylaldehyde,n-tridecanal,tridecane aldehyde,tridecanealdehyde,aldehyde c-13,technical,tridecanal |
| IUPAC Name | tridecanal |
| InChI Key | BGEHHAVMRVXCGR-UHFFFAOYSA-N |
| Molecular Formula | C13H26O |
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(II), 99.99% (metals basis)
CAS: 118448-18-3 Molecular Formula: C22H38CaO4 Molecular Weight (g/mol): 406.62 MDL Number: MFCD00064757 InChI Key: DOOFPPIHJGRIGW-OLHSYEKISA-L Synonym: ca tmhd 2,calcium bis dipivaloylmethanate,bis 2,2,6,6-tetramethyl-3,5-heptanedionato calcium PubChem CID: 14598209 IUPAC Name: calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2]
| PubChem CID | 14598209 |
|---|---|
| CAS | 118448-18-3 |
| Molecular Weight (g/mol) | 406.62 |
| MDL Number | MFCD00064757 |
| SMILES | CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2] |
| Synonym | ca tmhd 2,calcium bis dipivaloylmethanate,bis 2,2,6,6-tetramethyl-3,5-heptanedionato calcium |
| IUPAC Name | calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate |
| InChI Key | DOOFPPIHJGRIGW-OLHSYEKISA-L |
| Molecular Formula | C22H38CaO4 |
Indole-3-carboxaldehyde, 99%
CAS: 487-89-8 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00005622 InChI Key: OLNJUISKUQQNIM-UHFFFAOYSA-N Synonym: indole-3-carboxaldehyde,3-formylindole,1h-indole-3-carboxaldehyde,indole-3-aldehyde,indole-3-carbaldehyde,indole-3-carboxyaldehyde,3-indolecarboxaldehyde,beta-indolylaldehyde,3-indolecarbaldehyde,indol-3-carboxaldehyde PubChem CID: 10256 ChEBI: CHEBI:28238 IUPAC Name: 1H-indole-3-carbaldehyde SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
| PubChem CID | 10256 |
|---|---|
| CAS | 487-89-8 |
| Molecular Weight (g/mol) | 145.161 |
| ChEBI | CHEBI:28238 |
| MDL Number | MFCD00005622 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=O |
| Synonym | indole-3-carboxaldehyde,3-formylindole,1h-indole-3-carboxaldehyde,indole-3-aldehyde,indole-3-carbaldehyde,indole-3-carboxyaldehyde,3-indolecarboxaldehyde,beta-indolylaldehyde,3-indolecarbaldehyde,indol-3-carboxaldehyde |
| IUPAC Name | 1H-indole-3-carbaldehyde |
| InChI Key | OLNJUISKUQQNIM-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
5-Acetoxymethyl-2-furaldehyde, 97%
CAS: 10551-58-3 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00003233 InChI Key: QAVITTVTXPZTSE-UHFFFAOYSA-N Synonym: 5-acetoxymethyl-2-furaldehyde,5-formylfuran-2-yl methyl acetate,5-acetoxymethylfurfural,5-acetoxymethyl furfural,5-formylfurfuryl acetate,5-formyl-2-furyl methyl acetate,unii-5hh6180xyd,5-acetoxymethyl furfural amf,2-furancarboxaldehyde, 5-acetyloxy methyl PubChem CID: 66349 IUPAC Name: (5-formylfuran-2-yl)methyl acetate SMILES: CC(=O)OCC1=CC=C(O1)C=O
| PubChem CID | 66349 |
|---|---|
| CAS | 10551-58-3 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00003233 |
| SMILES | CC(=O)OCC1=CC=C(O1)C=O |
| Synonym | 5-acetoxymethyl-2-furaldehyde,5-formylfuran-2-yl methyl acetate,5-acetoxymethylfurfural,5-acetoxymethyl furfural,5-formylfurfuryl acetate,5-formyl-2-furyl methyl acetate,unii-5hh6180xyd,5-acetoxymethyl furfural amf,2-furancarboxaldehyde, 5-acetyloxy methyl |
| IUPAC Name | (5-formylfuran-2-yl)methyl acetate |
| InChI Key | QAVITTVTXPZTSE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |