Carbonyl compounds
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2-Hydroxy-4-methoxybenzaldehyde 98.0+%, TCI America™
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CAS: 673-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003327 InChI Key: WZUODJNEIXSNEU-UHFFFAOYSA-N Synonym: 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw PubChem CID: 69600 IUPAC Name: 2-hydroxy-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(O)=C1
| PubChem CID | 69600 |
|---|---|
| CAS | 673-22-3 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00003327 |
| SMILES | COC1=CC=C(C=O)C(O)=C1 |
| Synonym | 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw |
| IUPAC Name | 2-hydroxy-4-methoxybenzaldehyde |
| InChI Key | WZUODJNEIXSNEU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Ethyl 2-Ethylacetoacetate 97.0+%, TCI America™
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CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC
| PubChem CID | 79065 |
|---|---|
| CAS | 607-97-6 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00039898 |
| SMILES | CCC(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate |
| IUPAC Name | ethyl 2-ethyl-3-oxobutanoate |
| InChI Key | OKANYBNORCUPKZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
trans-2-Octenal 96.0+%, TCI America™
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CAS: 2548-87-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00007011 InChI Key: LVBXEMGDVWVTGY-VOTSOKGWSA-N Synonym: trans-2-octenal,e-oct-2-enal,e-2-octenal,2-octenal,trans-2-octen-1-al,e-2-octen-1-al,2-octen-1-al,2-octenel,2-octenal, e,2-octenal, 2e PubChem CID: 5283324 ChEBI: CHEBI:61748 IUPAC Name: (E)-oct-2-enal SMILES: CCCCCC=CC=O
| PubChem CID | 5283324 |
|---|---|
| CAS | 2548-87-0 |
| Molecular Weight (g/mol) | 126.199 |
| ChEBI | CHEBI:61748 |
| MDL Number | MFCD00007011 |
| SMILES | CCCCCC=CC=O |
| Synonym | trans-2-octenal,e-oct-2-enal,e-2-octenal,2-octenal,trans-2-octen-1-al,e-2-octen-1-al,2-octen-1-al,2-octenel,2-octenal, e,2-octenal, 2e |
| IUPAC Name | (E)-oct-2-enal |
| InChI Key | LVBXEMGDVWVTGY-VOTSOKGWSA-N |
| Molecular Formula | C8H14O |
Methyl Malonyl Chloride 97.0+%, TCI America™
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CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N Synonym: methyl malonyl chloride,methyl 3-chloro-3-oxopropionate,methyl chloroformylacetate,propanoic acid, 3-chloro-3-oxo-, methyl ester,methyl-3-chloro-3-oxopropionate,methyl-3-chlor-3-oxopropanoat,methyl chlorocarbonylacetate,carbomethoxy acetyl chloride,methyl chloroformyl acetate,methyl3-chloro-3-oxopropionate PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl
| PubChem CID | 123460 |
|---|---|
| CAS | 37517-81-0 |
| Molecular Weight (g/mol) | 136.531 |
| MDL Number | MFCD00013657 |
| SMILES | COC(=O)CC(=O)Cl |
| Synonym | methyl malonyl chloride,methyl 3-chloro-3-oxopropionate,methyl chloroformylacetate,propanoic acid, 3-chloro-3-oxo-, methyl ester,methyl-3-chloro-3-oxopropionate,methyl-3-chlor-3-oxopropanoat,methyl chlorocarbonylacetate,carbomethoxy acetyl chloride,methyl chloroformyl acetate,methyl3-chloro-3-oxopropionate |
| IUPAC Name | methyl 3-chloro-3-oxopropanoate |
| InChI Key | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO3 |
2'-Methoxyacetophenone 97.0+%, TCI America™
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CAS: 579-74-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008725 InChI Key: DWPLEOPKBWNPQV-UHFFFAOYSA-N Synonym: 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone PubChem CID: 68481 IUPAC Name: 1-(2-methoxyphenyl)ethan-1-one SMILES: COC1=CC=CC=C1C(C)=O
| PubChem CID | 68481 |
|---|---|
| CAS | 579-74-8 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00008725 |
| SMILES | COC1=CC=CC=C1C(C)=O |
| Synonym | 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone |
| IUPAC Name | 1-(2-methoxyphenyl)ethan-1-one |
| InChI Key | DWPLEOPKBWNPQV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2-Chloro-3,4-dimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 5417-17-4 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 InChI Key: SAWHDJTZESXNMM-UHFFFAOYSA-N PubChem CID: 79445 IUPAC Name: 2-chloro-3,4-dimethoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)C=O)Cl)OC
| PubChem CID | 79445 |
|---|---|
| CAS | 5417-17-4 |
| Molecular Weight (g/mol) | 200.618 |
| SMILES | COC1=C(C(=C(C=C1)C=O)Cl)OC |
| IUPAC Name | 2-chloro-3,4-dimethoxybenzaldehyde |
| InChI Key | SAWHDJTZESXNMM-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3 |
Propioin 95.0+%, TCI America™
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CAS: 4984-85-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00043572 InChI Key: SKCYVGUCBRYGTE-UHFFFAOYSA-N Synonym: 4-Hydroxy-3-hexanone PubChem CID: 95609 ChEBI: CHEBI:18351 IUPAC Name: 4-hydroxyhexan-3-one SMILES: CCC(C(=O)CC)O
| PubChem CID | 95609 |
|---|---|
| CAS | 4984-85-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:18351 |
| MDL Number | MFCD00043572 |
| SMILES | CCC(C(=O)CC)O |
| Synonym | 4-Hydroxy-3-hexanone |
| IUPAC Name | 4-hydroxyhexan-3-one |
| InChI Key | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1,3-Indandione 97.0+%, TCI America™
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CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00003779 InChI Key: UHKAJLSKXBADFT-UHFFFAOYSA-N Synonym: 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g PubChem CID: 11815 ChEBI: CHEBI:78877 IUPAC Name: indene-1,3-dione SMILES: C1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11815 |
|---|---|
| CAS | 606-23-5 |
| Molecular Weight (g/mol) | 146.145 |
| ChEBI | CHEBI:78877 |
| MDL Number | MFCD00003779 |
| SMILES | C1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g |
| IUPAC Name | indene-1,3-dione |
| InChI Key | UHKAJLSKXBADFT-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
4-Benzoylbutyric Acid 96.0+%, TCI America™
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CAS: 1501-05-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00004411 InChI Key: SHKWSBAVRQZYLE-UHFFFAOYSA-N Synonym: 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid PubChem CID: 73914 IUPAC Name: 5-oxo-5-phenylpentanoic acid SMILES: C1=CC=C(C=C1)C(=O)CCCC(=O)O
| PubChem CID | 73914 |
|---|---|
| CAS | 1501-05-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00004411 |
| SMILES | C1=CC=C(C=C1)C(=O)CCCC(=O)O |
| Synonym | 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid |
| IUPAC Name | 5-oxo-5-phenylpentanoic acid |
| InChI Key | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Iloperidone 98.0+%, TCI America™
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CAS: 133454-47-4 Molecular Formula: C24H27FN2O4 Molecular Weight (g/mol): 426.49 MDL Number: MFCD00866688 InChI Key: XMXHEBAFVSFQEX-UHFFFAOYSA-N PubChem CID: 71360 ChEBI: CHEBI:65173 IUPAC Name: 1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one SMILES: COC1=CC(=CC=C1OCCCN1CCC(CC1)C1=NOC2=CC(F)=CC=C12)C(C)=O
| PubChem CID | 71360 |
|---|---|
| CAS | 133454-47-4 |
| Molecular Weight (g/mol) | 426.49 |
| ChEBI | CHEBI:65173 |
| MDL Number | MFCD00866688 |
| SMILES | COC1=CC(=CC=C1OCCCN1CCC(CC1)C1=NOC2=CC(F)=CC=C12)C(C)=O |
| IUPAC Name | 1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one |
| InChI Key | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
| Molecular Formula | C24H27FN2O4 |
Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate 96.0+%, TCI America™
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CAS: 21339-47-9 Molecular Formula: C13H24O6 Molecular Weight (g/mol): 276.329 MDL Number: MFCD00671525 InChI Key: VQUXMFKGQFXVBC-UHFFFAOYSA-N Synonym: 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester PubChem CID: 298328 IUPAC Name: diethyl 2-(2,2-diethoxyethyl)propanedioate SMILES: CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
| PubChem CID | 298328 |
|---|---|
| CAS | 21339-47-9 |
| Molecular Weight (g/mol) | 276.329 |
| MDL Number | MFCD00671525 |
| SMILES | CCOC(CC(C(=O)OCC)C(=O)OCC)OCC |
| Synonym | 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2,2-diethoxyethyl)propanedioate |
| InChI Key | VQUXMFKGQFXVBC-UHFFFAOYSA-N |
| Molecular Formula | C13H24O6 |
Benzyl 4-Chlorophenyl Ketone 98.0+%, TCI America™
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CAS: 1889-71-0 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00016342 InChI Key: DXVALSKCLLBZEB-UHFFFAOYSA-N Synonym: benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by PubChem CID: 233840 IUPAC Name: 1-(4-chlorophenyl)-2-phenylethan-1-one SMILES: ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1
| PubChem CID | 233840 |
|---|---|
| CAS | 1889-71-0 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00016342 |
| SMILES | ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1 |
| Synonym | benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by |
| IUPAC Name | 1-(4-chlorophenyl)-2-phenylethan-1-one |
| InChI Key | DXVALSKCLLBZEB-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClO |
2'-(Trifluoromethoxy)acetophenone 98.0+%, TCI America™
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CAS: 220227-93-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00236320 InChI Key: XTXSTESGCXKUIH-UHFFFAOYSA-N Synonym: 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 PubChem CID: 2777176 IUPAC Name: 1-[2-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777176 |
|---|---|
| CAS | 220227-93-0 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00236320 |
| SMILES | CC(=O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 |
| IUPAC Name | 1-[2-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | XTXSTESGCXKUIH-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
2-Chlorocyclohexanone (stabilized with HQ + CaCO3) 96.0+%, TCI America™
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CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
| PubChem CID | 13203 |
|---|---|
| CAS | 822-87-7 |
| Molecular Weight (g/mol) | 132.59 |
| MDL Number | MFCD00001626 |
| SMILES | ClC1CCCCC1=O |
| Synonym | 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted |
| IUPAC Name | 2-chlorocyclohexan-1-one |
| InChI Key | CCHNWURRBFGQCD-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO |
6-Fluorochromone-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 69155-76-6 Molecular Formula: C10H5FO3 Molecular Weight (g/mol): 192.15 MDL Number: MFCD00139060 InChI Key: VHRMOTNEBIKURN-UHFFFAOYSA-N Synonym: 6-fluoro-3-formylchromone,6-fluoro-4-oxo-4h-chromene-3-carbaldehyde,6-fluorochromone-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6-fluoro-4-oxo,chembl87768,6-fluoro-4-oxo-chromene-3-carbaldehyde,4h-1-benzopyran-3-carboxaldehyde,6-fluoro-4-oxo,acmc-20alyx,3-formyl-6-fluorochromone,6-fluorochromone-3-carbaldehyde PubChem CID: 688893 IUPAC Name: 6-fluoro-4-oxo-4H-chromene-3-carbaldehyde SMILES: FC1=CC=C2OC=C(C=O)C(=O)C2=C1
| PubChem CID | 688893 |
|---|---|
| CAS | 69155-76-6 |
| Molecular Weight (g/mol) | 192.15 |
| MDL Number | MFCD00139060 |
| SMILES | FC1=CC=C2OC=C(C=O)C(=O)C2=C1 |
| Synonym | 6-fluoro-3-formylchromone,6-fluoro-4-oxo-4h-chromene-3-carbaldehyde,6-fluorochromone-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6-fluoro-4-oxo,chembl87768,6-fluoro-4-oxo-chromene-3-carbaldehyde,4h-1-benzopyran-3-carboxaldehyde,6-fluoro-4-oxo,acmc-20alyx,3-formyl-6-fluorochromone,6-fluorochromone-3-carbaldehyde |
| IUPAC Name | 6-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
| InChI Key | VHRMOTNEBIKURN-UHFFFAOYSA-N |
| Molecular Formula | C10H5FO3 |