Carbonyl compounds
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N,N-Diethylacetoacetamide 98.0+%, TCI America™
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CAS: 2235-46-3 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00026728 InChI Key: NTMXFHGYWJIAAE-UHFFFAOYSA-N Synonym: n,n-diethylacetoacetamide,n,n-diethyl-3-oxobutyramide,diethylacetoacetamide,butanamide, n,n-diethyl-3-oxo,acetoacetamide, n,n-diethyl,1-diethylcarbamoyl-2-propanone,n,n-diethylacetylacetamide,acetoacetdiethylamide,diethylamid kyseliny acetoctove,diethylamid kyseliny acetoctove czech PubChem CID: 16699 IUPAC Name: N,N-diethyl-3-oxobutanamide SMILES: CCN(CC)C(=O)CC(=O)C
| PubChem CID | 16699 |
|---|---|
| CAS | 2235-46-3 |
| Molecular Weight (g/mol) | 157.213 |
| MDL Number | MFCD00026728 |
| SMILES | CCN(CC)C(=O)CC(=O)C |
| Synonym | n,n-diethylacetoacetamide,n,n-diethyl-3-oxobutyramide,diethylacetoacetamide,butanamide, n,n-diethyl-3-oxo,acetoacetamide, n,n-diethyl,1-diethylcarbamoyl-2-propanone,n,n-diethylacetylacetamide,acetoacetdiethylamide,diethylamid kyseliny acetoctove,diethylamid kyseliny acetoctove czech |
| IUPAC Name | N,N-diethyl-3-oxobutanamide |
| InChI Key | NTMXFHGYWJIAAE-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO2 |
5-Acetyl-2-methoxypyridine 98.0+%, TCI America™
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CAS: 213193-32-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD05664350 InChI Key: RYOQZXOVBJIUSX-UHFFFAOYSA-N Synonym: 5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine PubChem CID: 10534837 IUPAC Name: 1-(6-methoxypyridin-3-yl)ethanone SMILES: CC(=O)C1=CN=C(C=C1)OC
| PubChem CID | 10534837 |
|---|---|
| CAS | 213193-32-9 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD05664350 |
| SMILES | CC(=O)C1=CN=C(C=C1)OC |
| Synonym | 5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine |
| IUPAC Name | 1-(6-methoxypyridin-3-yl)ethanone |
| InChI Key | RYOQZXOVBJIUSX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
N-Acetoacetylmorpholine 98.0+%, TCI America™
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CAS: 16695-54-8 Molecular Formula: C8H13NO3 Molecular Weight (g/mol): 171.20 MDL Number: MFCD00059774 InChI Key: RKPILPRSNWEZJV-UHFFFAOYSA-N PubChem CID: 85550 IUPAC Name: 1-(morpholin-4-yl)butane-1,3-dione SMILES: CC(=O)CC(=O)N1CCOCC1
| PubChem CID | 85550 |
|---|---|
| CAS | 16695-54-8 |
| Molecular Weight (g/mol) | 171.20 |
| MDL Number | MFCD00059774 |
| SMILES | CC(=O)CC(=O)N1CCOCC1 |
| IUPAC Name | 1-(morpholin-4-yl)butane-1,3-dione |
| InChI Key | RKPILPRSNWEZJV-UHFFFAOYSA-N |
| Molecular Formula | C8H13NO3 |
3-Chloroacetylacetone 95.0+%, TCI America™
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CAS: 1694-29-7 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.559 MDL Number: MFCD00009651 InChI Key: VLRGXXKFHVJQOL-UHFFFAOYSA-N Synonym: 3-chloro-2,4-pentanedione,3-chloroacetylacetone,2,4-pentanedione, 3-chloro,1-acetyl-1-chloroacetone,3-chloro 2,4-pentanedione,3-chloro.2,4-pentanedione,3-chloro-pentane-2,4-dione,2,4-pentanedione,3-chloro,3-chloro-2,4-pentanedione, produced by wacker chemie ag, burghausen, germany gc PubChem CID: 74328 IUPAC Name: 3-chloropentane-2,4-dione SMILES: CC(=O)C(C(=O)C)Cl
| PubChem CID | 74328 |
|---|---|
| CAS | 1694-29-7 |
| Molecular Weight (g/mol) | 134.559 |
| MDL Number | MFCD00009651 |
| SMILES | CC(=O)C(C(=O)C)Cl |
| Synonym | 3-chloro-2,4-pentanedione,3-chloroacetylacetone,2,4-pentanedione, 3-chloro,1-acetyl-1-chloroacetone,3-chloro 2,4-pentanedione,3-chloro.2,4-pentanedione,3-chloro-pentane-2,4-dione,2,4-pentanedione,3-chloro,3-chloro-2,4-pentanedione, produced by wacker chemie ag, burghausen, germany gc |
| IUPAC Name | 3-chloropentane-2,4-dione |
| InChI Key | VLRGXXKFHVJQOL-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO2 |
Bis(2,4-pentanedionato)magnesium(II) 98.0+%, TCI America™
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CAS: 14024-56-7 Molecular Formula: C10H14MgO4 Molecular Weight (g/mol): 222.523 MDL Number: MFCD00013497 InChI Key: AKTIAGQCYPCKFX-SYWGCQIGSA-L Synonym: 4-4-oxopent-2-en-2-yl oxy magnesio oxy pent-3-en-2-one PubChem CID: 25113476 IUPAC Name: magnesium;(E)-4-oxopent-2-en-2-olate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Mg+2]
| PubChem CID | 25113476 |
|---|---|
| CAS | 14024-56-7 |
| Molecular Weight (g/mol) | 222.523 |
| MDL Number | MFCD00013497 |
| SMILES | CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Mg+2] |
| Synonym | 4-4-oxopent-2-en-2-yl oxy magnesio oxy pent-3-en-2-one |
| IUPAC Name | magnesium;(E)-4-oxopent-2-en-2-olate |
| InChI Key | AKTIAGQCYPCKFX-SYWGCQIGSA-L |
| Molecular Formula | C10H14MgO4 |
2-Benzoylthiophene 98.0+%, TCI America™
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CAS: 135-00-2 Molecular Formula: C11H8OS Molecular Weight (g/mol): 188.244 MDL Number: MFCD00022495 InChI Key: DWYFUJJWTRPARQ-UHFFFAOYSA-N Synonym: 2-benzoylthiophene,phenyl thiophen-2-yl methanone,phenyl 2-thienyl ketone,methanone, phenyl-2-thienyl,ketone, phenyl 2-thienyl,phenyl 2-thienyl methanone,2-thienyl phenyl ketone,.alpha.-benzoylthiophene,phenyl-thiophen-2-yl-methanone,2-benzoyl thiophene PubChem CID: 67262 IUPAC Name: phenyl(thiophen-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CS2
| PubChem CID | 67262 |
|---|---|
| CAS | 135-00-2 |
| Molecular Weight (g/mol) | 188.244 |
| MDL Number | MFCD00022495 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CS2 |
| Synonym | 2-benzoylthiophene,phenyl thiophen-2-yl methanone,phenyl 2-thienyl ketone,methanone, phenyl-2-thienyl,ketone, phenyl 2-thienyl,phenyl 2-thienyl methanone,2-thienyl phenyl ketone,.alpha.-benzoylthiophene,phenyl-thiophen-2-yl-methanone,2-benzoyl thiophene |
| IUPAC Name | phenyl(thiophen-2-yl)methanone |
| InChI Key | DWYFUJJWTRPARQ-UHFFFAOYSA-N |
| Molecular Formula | C11H8OS |
4'-Nitrobiphenyl-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 98648-23-8 Molecular Formula: C13H9NO3 Molecular Weight (g/mol): 227.22 MDL Number: MFCD06200931 InChI Key: MGHIIGWDUVNPPV-UHFFFAOYSA-N PubChem CID: 2763586 IUPAC Name: 4'-nitro-[1,1'-biphenyl]-4-carbaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1
| PubChem CID | 2763586 |
|---|---|
| CAS | 98648-23-8 |
| Molecular Weight (g/mol) | 227.22 |
| MDL Number | MFCD06200931 |
| SMILES | [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1 |
| IUPAC Name | 4'-nitro-[1,1'-biphenyl]-4-carbaldehyde |
| InChI Key | MGHIIGWDUVNPPV-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO3 |
Diethyl Benzylmalonate 98.0+%, TCI America™
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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 |
4'-tert-Butyl-4-chlorobutyrophenone 95.0+%, TCI America™
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CAS: 43076-61-5 Molecular Formula: C14H19ClO Molecular Weight (g/mol): 238.755 MDL Number: MFCD00018996 InChI Key: RLKSQLJFGCDUOX-UHFFFAOYSA-N Synonym: 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone PubChem CID: 2723694 IUPAC Name: 1-(4-tert-butylphenyl)-4-chlorobutan-1-one SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl
| PubChem CID | 2723694 |
|---|---|
| CAS | 43076-61-5 |
| Molecular Weight (g/mol) | 238.755 |
| MDL Number | MFCD00018996 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl |
| Synonym | 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone |
| IUPAC Name | 1-(4-tert-butylphenyl)-4-chlorobutan-1-one |
| InChI Key | RLKSQLJFGCDUOX-UHFFFAOYSA-N |
| Molecular Formula | C14H19ClO |
4-Isopropoxybenzaldehyde 96.0+%, TCI America™
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CAS: 18962-05-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00052357 InChI Key: WDANSDASCKBVKH-UHFFFAOYSA-N Synonym: 4-isopropoxybenzaldehyde,4-propan-2-yloxy benzaldehyde,4-iso-propoxybenzaldehyde,benzaldehyde, 4-1-methylethoxy,4-propan-2-yl-oxy benzaldehyde,4-isopropoxy-1-formylbenzene,4-methylethoxy benzaldehyde,pubchem9651,p-isopropoxybenzaldehyde,4-isopropoxy-benzaldehyde PubChem CID: 250077 IUPAC Name: 4-propan-2-yloxybenzaldehyde SMILES: CC(C)OC1=CC=C(C=C1)C=O
| PubChem CID | 250077 |
|---|---|
| CAS | 18962-05-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00052357 |
| SMILES | CC(C)OC1=CC=C(C=C1)C=O |
| Synonym | 4-isopropoxybenzaldehyde,4-propan-2-yloxy benzaldehyde,4-iso-propoxybenzaldehyde,benzaldehyde, 4-1-methylethoxy,4-propan-2-yl-oxy benzaldehyde,4-isopropoxy-1-formylbenzene,4-methylethoxy benzaldehyde,pubchem9651,p-isopropoxybenzaldehyde,4-isopropoxy-benzaldehyde |
| IUPAC Name | 4-propan-2-yloxybenzaldehyde |
| InChI Key | WDANSDASCKBVKH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
4-(2-Hydroxyethoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 22042-73-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00191450 InChI Key: VCDGTEZSUNFOKA-UHFFFAOYSA-N PubChem CID: 89178 IUPAC Name: 4-(2-hydroxyethoxy)benzaldehyde SMILES: OCCOC1=CC=C(C=O)C=C1
| PubChem CID | 89178 |
|---|---|
| CAS | 22042-73-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00191450 |
| SMILES | OCCOC1=CC=C(C=O)C=C1 |
| IUPAC Name | 4-(2-hydroxyethoxy)benzaldehyde |
| InChI Key | VCDGTEZSUNFOKA-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2',4'-Dichloropropiophenone 97.0+%, TCI America™
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CAS: 37885-41-9 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.062 MDL Number: MFCD00027396 InChI Key: FBMTWRZQBRHOPF-UHFFFAOYSA-N Synonym: 2',4'-dichloropropiophenone,1-2,4-dichlorophenyl propan-1-one,2,4-dichloropropiophenone,1-2,4-dichlorophenyl-1-propanone,1-propanone, 1-2,4-dichlorophenyl,2 ,4-dichloropropiophenone,pubchem24408,acmc-209ivy,timtec-bb sbb016918,1-propanone,1-2,4-dichlorophenyl PubChem CID: 123467 IUPAC Name: 1-(2,4-dichlorophenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 123467 |
|---|---|
| CAS | 37885-41-9 |
| Molecular Weight (g/mol) | 203.062 |
| MDL Number | MFCD00027396 |
| SMILES | CCC(=O)C1=C(C=C(C=C1)Cl)Cl |
| Synonym | 2',4'-dichloropropiophenone,1-2,4-dichlorophenyl propan-1-one,2,4-dichloropropiophenone,1-2,4-dichlorophenyl-1-propanone,1-propanone, 1-2,4-dichlorophenyl,2 ,4-dichloropropiophenone,pubchem24408,acmc-209ivy,timtec-bb sbb016918,1-propanone,1-2,4-dichlorophenyl |
| IUPAC Name | 1-(2,4-dichlorophenyl)propan-1-one |
| InChI Key | FBMTWRZQBRHOPF-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
4'-Hydroxy-2'-methylacetophenone 98.0+%, TCI America™
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CAS: 875-59-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002303 InChI Key: IAMNVCJECQWBLZ-UHFFFAOYSA-N Synonym: 4'-hydroxy-2'-methylacetophenone,1-4-hydroxy-2-methylphenyl ethanone,4-hydroxy-2-methylacetophenone,2-methyl-4-hydroxyacetophenone,ethanone, 1-4-hydroxy-2-methylphenyl,3-methyl-4-acetylphenol,1-4-hydroxy-2-methylphenyl ethan-1-one,1-acetyl-4-hydroxy-2-methylbenzene,ethanone,1-4-hydroxy-2-methylphenyl,2'-methyl-4'-hydroxyacetophenone PubChem CID: 70133 ChEBI: CHEBI:87314 IUPAC Name: 1-(4-hydroxy-2-methylphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(O)C=C1C
| PubChem CID | 70133 |
|---|---|
| CAS | 875-59-2 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:87314 |
| MDL Number | MFCD00002303 |
| SMILES | CC(=O)C1=CC=C(O)C=C1C |
| Synonym | 4'-hydroxy-2'-methylacetophenone,1-4-hydroxy-2-methylphenyl ethanone,4-hydroxy-2-methylacetophenone,2-methyl-4-hydroxyacetophenone,ethanone, 1-4-hydroxy-2-methylphenyl,3-methyl-4-acetylphenol,1-4-hydroxy-2-methylphenyl ethan-1-one,1-acetyl-4-hydroxy-2-methylbenzene,ethanone,1-4-hydroxy-2-methylphenyl,2'-methyl-4'-hydroxyacetophenone |
| IUPAC Name | 1-(4-hydroxy-2-methylphenyl)ethan-1-one |
| InChI Key | IAMNVCJECQWBLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4'-Fluoroacetophenone 98.0+%, TCI America™
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CAS: 403-42-9 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD00000354 InChI Key: ZDPAWHACYDRYIW-UHFFFAOYSA-N Synonym: 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene PubChem CID: 9828 IUPAC Name: 1-(4-fluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C=C1
| PubChem CID | 9828 |
|---|---|
| CAS | 403-42-9 |
| Molecular Weight (g/mol) | 138.14 |
| MDL Number | MFCD00000354 |
| SMILES | CC(=O)C1=CC=C(F)C=C1 |
| Synonym | 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene |
| IUPAC Name | 1-(4-fluorophenyl)ethan-1-one |
| InChI Key | ZDPAWHACYDRYIW-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one), TCI America™
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CAS: 5166-53-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 MDL Number: MFCD00012166 InChI Key: IYMKNYVCXUEFJE-SNAWJCMRSA-N PubChem CID: 5363140 IUPAC Name: (E)-5-methylhex-3-en-2-one SMILES: CC(C)C=CC(=O)C
| PubChem CID | 5363140 |
|---|---|
| CAS | 5166-53-0 |
| Molecular Weight (g/mol) | 112.172 |
| MDL Number | MFCD00012166 |
| SMILES | CC(C)C=CC(=O)C |
| IUPAC Name | (E)-5-methylhex-3-en-2-one |
| InChI Key | IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| Molecular Formula | C7H12O |