Carbonyl compounds
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Diethyl Methyloxalacetate 96.0+%, TCI America™
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CAS: 759-65-9 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.206 MDL Number: MFCD00009163 InChI Key: OQOCQBJWOCRPQY-UHFFFAOYSA-N Synonym: Methyloxalacetic Acid Diethyl Ester, 2-Ethoxalylpropionic Acid Ethyl Ester, Ethyl 2-Ethoxalylpropionate PubChem CID: 97750 ChEBI: CHEBI:16879 IUPAC Name: diethyl 2-methyl-3-oxobutanedioate SMILES: CCOC(=O)C(C)C(=O)C(=O)OCC
| PubChem CID | 97750 |
|---|---|
| CAS | 759-65-9 |
| Molecular Weight (g/mol) | 202.206 |
| ChEBI | CHEBI:16879 |
| MDL Number | MFCD00009163 |
| SMILES | CCOC(=O)C(C)C(=O)C(=O)OCC |
| Synonym | Methyloxalacetic Acid Diethyl Ester, 2-Ethoxalylpropionic Acid Ethyl Ester, Ethyl 2-Ethoxalylpropionate |
| IUPAC Name | diethyl 2-methyl-3-oxobutanedioate |
| InChI Key | OQOCQBJWOCRPQY-UHFFFAOYSA-N |
| Molecular Formula | C9H14O5 |
3-Octen-2-one 96.0+%, TCI America™
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CAS: 1669-44-9 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00015565 InChI Key: ZCFOBLITZWHNNC-VOTSOKGWSA-N Synonym: 3-octen-2-one,trans-3-octen-2-one,e-3-octen-2-one,3e-3-octen-2-one,e-oct-3-en-2-one,unii-m26ah283xv,3-octen-2-one, e,3e-octen-2-one,3e-oct-3-en-2-one,hex-1-enyl methyl ketone PubChem CID: 5363229 IUPAC Name: (E)-oct-3-en-2-one SMILES: CCCCC=CC(=O)C
| PubChem CID | 5363229 |
|---|---|
| CAS | 1669-44-9 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00015565 |
| SMILES | CCCCC=CC(=O)C |
| Synonym | 3-octen-2-one,trans-3-octen-2-one,e-3-octen-2-one,3e-3-octen-2-one,e-oct-3-en-2-one,unii-m26ah283xv,3-octen-2-one, e,3e-octen-2-one,3e-oct-3-en-2-one,hex-1-enyl methyl ketone |
| IUPAC Name | (E)-oct-3-en-2-one |
| InChI Key | ZCFOBLITZWHNNC-VOTSOKGWSA-N |
| Molecular Formula | C8H14O |
sec-Butyl Acetoacetate 98.0+%, TCI America™
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CAS: 13562-76-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00059392 InChI Key: QSTNBMLCULGCQE-UHFFFAOYSA-N Synonym: Acetoacetic Acid sec-Butyl Ester PubChem CID: 139498 IUPAC Name: butan-2-yl 3-oxobutanoate SMILES: CCC(C)OC(=O)CC(=O)C
| PubChem CID | 139498 |
|---|---|
| CAS | 13562-76-0 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00059392 |
| SMILES | CCC(C)OC(=O)CC(=O)C |
| Synonym | Acetoacetic Acid sec-Butyl Ester |
| IUPAC Name | butan-2-yl 3-oxobutanoate |
| InChI Key | QSTNBMLCULGCQE-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
2,5-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 1194-98-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003333 InChI Key: CLFRCXCBWIQVRN-UHFFFAOYSA-N Synonym: gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy PubChem CID: 70949 ChEBI: CHEBI:28508 IUPAC Name: 2,5-dihydroxybenzaldehyde SMILES: OC1=CC=C(O)C(C=O)=C1
| PubChem CID | 70949 |
|---|---|
| CAS | 1194-98-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:28508 |
| MDL Number | MFCD00003333 |
| SMILES | OC1=CC=C(O)C(C=O)=C1 |
| Synonym | gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy |
| IUPAC Name | 2,5-dihydroxybenzaldehyde |
| InChI Key | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
2-Amino-3-hydroxyanthraquinone 98.0+%, TCI America™
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CAS: 117-77-1 Molecular Formula: C14H9NO3 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00059499 InChI Key: CNWWMJSRHGXXAX-UHFFFAOYSA-N PubChem CID: 67029 IUPAC Name: 2-amino-3-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)N
| PubChem CID | 67029 |
|---|---|
| CAS | 117-77-1 |
| Molecular Weight (g/mol) | 239.23 |
| MDL Number | MFCD00059499 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)N |
| IUPAC Name | 2-amino-3-hydroxyanthracene-9,10-dione |
| InChI Key | CNWWMJSRHGXXAX-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO3 |
1,4-Diamino-2,3-dichloroanthraquinone 93.0+%, TCI America™
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CAS: 81-42-5 Molecular Formula: C14H8Cl2N2O2 Molecular Weight (g/mol): 307.13 MDL Number: MFCD00035693 InChI Key: KZYAYVSWIPZDKL-UHFFFAOYSA-N Synonym: Disperse Violet 28 PubChem CID: 65731 IUPAC Name: 1,4-diamino-2,3-dichloro-9,10-dihydroanthracene-9,10-dione SMILES: NC1=C(Cl)C(Cl)=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 65731 |
|---|---|
| CAS | 81-42-5 |
| Molecular Weight (g/mol) | 307.13 |
| MDL Number | MFCD00035693 |
| SMILES | NC1=C(Cl)C(Cl)=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O |
| Synonym | Disperse Violet 28 |
| IUPAC Name | 1,4-diamino-2,3-dichloro-9,10-dihydroanthracene-9,10-dione |
| InChI Key | KZYAYVSWIPZDKL-UHFFFAOYSA-N |
| Molecular Formula | C14H8Cl2N2O2 |
1,3-Diacetylbenzene 98.0+%, TCI America™
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CAS: 6781-42-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008740 InChI Key: VCHOFVSNWYPAEF-UHFFFAOYSA-N Synonym: 1,3-diacetylbenzene,1,1'-1,3-phenylene diethanone,ethanone, 1,1'-1,3-phenylene bis,m-diacetylbenzene,benzene-1,3-bis acetyl,m-acetylacetophenone,m-acetyl acetophenone,1-3-acetylphenyl ethanone,1-3-acetylphenyl ethan-1-one,m-diacetyl benzene PubChem CID: 23229 IUPAC Name: 1-(3-acetylphenyl)ethan-1-one SMILES: CC(=O)C1=CC(=CC=C1)C(C)=O
| PubChem CID | 23229 |
|---|---|
| CAS | 6781-42-6 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00008740 |
| SMILES | CC(=O)C1=CC(=CC=C1)C(C)=O |
| Synonym | 1,3-diacetylbenzene,1,1'-1,3-phenylene diethanone,ethanone, 1,1'-1,3-phenylene bis,m-diacetylbenzene,benzene-1,3-bis acetyl,m-acetylacetophenone,m-acetyl acetophenone,1-3-acetylphenyl ethanone,1-3-acetylphenyl ethan-1-one,m-diacetyl benzene |
| IUPAC Name | 1-(3-acetylphenyl)ethan-1-one |
| InChI Key | VCHOFVSNWYPAEF-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
4-Bromo-2-furaldehyde 97.0+%, TCI America™
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CAS: 21921-76-6 Molecular Formula: C5H3BrO2 Molecular Weight (g/mol): 174.981 MDL Number: MFCD00671504 InChI Key: MRGBBKQOSUHKPF-UHFFFAOYSA-N Synonym: 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi PubChem CID: 2757010 IUPAC Name: 4-bromofuran-2-carbaldehyde SMILES: C1=C(OC=C1Br)C=O
| PubChem CID | 2757010 |
|---|---|
| CAS | 21921-76-6 |
| Molecular Weight (g/mol) | 174.981 |
| MDL Number | MFCD00671504 |
| SMILES | C1=C(OC=C1Br)C=O |
| Synonym | 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi |
| IUPAC Name | 4-bromofuran-2-carbaldehyde |
| InChI Key | MRGBBKQOSUHKPF-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrO2 |
Dimethyl Benzylmalonate 95.0+%, TCI America™
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CAS: 49769-78-0 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD01445471 InChI Key: ZMYJSOIMFGAQRQ-UHFFFAOYSA-N Synonym: Benzylmalonic Acid Dimethyl Ester PubChem CID: 10900856 IUPAC Name: 1,3-dimethyl 2-benzylpropanedioate SMILES: COC(=O)C(CC1=CC=CC=C1)C(=O)OC
| PubChem CID | 10900856 |
|---|---|
| CAS | 49769-78-0 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD01445471 |
| SMILES | COC(=O)C(CC1=CC=CC=C1)C(=O)OC |
| Synonym | Benzylmalonic Acid Dimethyl Ester |
| IUPAC Name | 1,3-dimethyl 2-benzylpropanedioate |
| InChI Key | ZMYJSOIMFGAQRQ-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
2,6-Dimethoxybenzaldehyde 97.0+%, TCI America™
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CAS: 3392-97-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00010862 InChI Key: WXSGQHKHUYTJNB-UHFFFAOYSA-N Synonym: benzaldehyde, 2,6-dimethoxy,unii-54p7cg8v99,pubchem8226,acmc-1ckys,2,6 dimethoxybenzaldehyde,2,6-dimethoxy-benzaldehyde,ksc497m3h,1,3-dimethoxy-2-formylbenzene,paragos 460025,timtec-bb sbb006541 PubChem CID: 96404 IUPAC Name: 2,6-dimethoxybenzaldehyde SMILES: COC1=CC=CC(OC)=C1C=O
| PubChem CID | 96404 |
|---|---|
| CAS | 3392-97-0 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00010862 |
| SMILES | COC1=CC=CC(OC)=C1C=O |
| Synonym | benzaldehyde, 2,6-dimethoxy,unii-54p7cg8v99,pubchem8226,acmc-1ckys,2,6 dimethoxybenzaldehyde,2,6-dimethoxy-benzaldehyde,ksc497m3h,1,3-dimethoxy-2-formylbenzene,paragos 460025,timtec-bb sbb006541 |
| IUPAC Name | 2,6-dimethoxybenzaldehyde |
| InChI Key | WXSGQHKHUYTJNB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Octadecanophenone 98.0+%, TCI America™
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CAS: 6786-36-3 Molecular Formula: C24H40O Molecular Weight (g/mol): 344.583 MDL Number: MFCD00010700 InChI Key: DBLXXVQTWJFJFI-UHFFFAOYSA-N Synonym: octadecanophenone,stearophenone,n-octadecanophenone,heptadecyl phenyl ketone,1-octadecanone, 1-phenyl,1-phenyl-1-octadecanone # PubChem CID: 81244 IUPAC Name: 1-phenyloctadecan-1-one SMILES: CCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 81244 |
|---|---|
| CAS | 6786-36-3 |
| Molecular Weight (g/mol) | 344.583 |
| MDL Number | MFCD00010700 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | octadecanophenone,stearophenone,n-octadecanophenone,heptadecyl phenyl ketone,1-octadecanone, 1-phenyl,1-phenyl-1-octadecanone # |
| IUPAC Name | 1-phenyloctadecan-1-one |
| InChI Key | DBLXXVQTWJFJFI-UHFFFAOYSA-N |
| Molecular Formula | C24H40O |
2-Acetylnaphtho[2,3-b]furan-4,9-dione 98.0+%, TCI America™
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CAS: 83280-65-3 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.21 MDL Number: MFCD28155270 InChI Key: DPHUWDIXHNQOSY-UHFFFAOYSA-N Synonym: Napabucasin PubChem CID: 10331844 IUPAC Name: 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione SMILES: CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 10331844 |
|---|---|
| CAS | 83280-65-3 |
| Molecular Weight (g/mol) | 240.21 |
| MDL Number | MFCD28155270 |
| SMILES | CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O |
| Synonym | Napabucasin |
| IUPAC Name | 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione |
| InChI Key | DPHUWDIXHNQOSY-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
3-(Trifluoromethoxy)benzaldehyde 97.0+%, TCI America™
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CAS: 52771-21-8 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00042406 InChI Key: FQEVHRCPXFKJHF-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy benzaldehyde,m-trifluoromethoxy benzaldehyde,m-trifluoromethoxybenzaldehyde,pubchem1470,acmc-209l1m,3trifluoromethoxybenzaldehyde,3-trifluormethoxy-benzaldehyde,ksc274m0j,3-trifluoromethoxy-benzaldehyde,timtec-bb sbb006601 PubChem CID: 605139 IUPAC Name: 3-(trifluoromethoxy)benzaldehyde SMILES: FC(F)(F)OC1=CC=CC(C=O)=C1
| PubChem CID | 605139 |
|---|---|
| CAS | 52771-21-8 |
| Molecular Weight (g/mol) | 190.12 |
| MDL Number | MFCD00042406 |
| SMILES | FC(F)(F)OC1=CC=CC(C=O)=C1 |
| Synonym | 3-trifluoromethoxy benzaldehyde,m-trifluoromethoxy benzaldehyde,m-trifluoromethoxybenzaldehyde,pubchem1470,acmc-209l1m,3trifluoromethoxybenzaldehyde,3-trifluormethoxy-benzaldehyde,ksc274m0j,3-trifluoromethoxy-benzaldehyde,timtec-bb sbb006601 |
| IUPAC Name | 3-(trifluoromethoxy)benzaldehyde |
| InChI Key | FQEVHRCPXFKJHF-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2 |
Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate 96.0+%, TCI America™
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CAS: 64987-08-2 Molecular Formula: C7H8N2O3S Molecular Weight (g/mol): 200.212 MDL Number: MFCD00010414 InChI Key: XNVRKLCQBZTGNA-UHFFFAOYSA-N Synonym: 2-(2-Amino-4-thiazolyl)-2-oxoacetic Acid Ethyl Ester PubChem CID: 4356513 IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CSC(=N1)N
| PubChem CID | 4356513 |
|---|---|
| CAS | 64987-08-2 |
| Molecular Weight (g/mol) | 200.212 |
| MDL Number | MFCD00010414 |
| SMILES | CCOC(=O)C(=O)C1=CSC(=N1)N |
| Synonym | 2-(2-Amino-4-thiazolyl)-2-oxoacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate |
| InChI Key | XNVRKLCQBZTGNA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3S |
4'-Aminohexanophenone 98.0+%, TCI America™
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CAS: 38237-76-2 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 InChI Key: YDQJFPLRVSPPGE-UHFFFAOYSA-N Synonym: 4-Hexanoylaniline PubChem CID: 37983 IUPAC Name: 1-(4-aminophenyl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=C(C=C1)N
| PubChem CID | 37983 |
|---|---|
| CAS | 38237-76-2 |
| Molecular Weight (g/mol) | 191.274 |
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-Hexanoylaniline |
| IUPAC Name | 1-(4-aminophenyl)hexan-1-one |
| InChI Key | YDQJFPLRVSPPGE-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |