Organic acids and derivatives
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Acetohydroxamic Acid 98.0+%, TCI America™
CAS: 546-88-3 Molecular Formula: C2H5NO2 Molecular Weight (g/mol): 75.067 MDL Number: MFCD00009994 InChI Key: RRUDCFGSUDOHDG-UHFFFAOYSA-N Synonym: acetohydroxamic acid,methylhydroxamic acid,acetylhydroxamic acid,acetic acid, oxime,acetohydroximic acid,lithostat,n-acetylhydroxylamine,acetamide, n-hydroxy,acethydroxamsaure,acethydroxamsaeure PubChem CID: 1990 ChEBI: CHEBI:49029 IUPAC Name: N-hydroxyacetamide SMILES: CC(=O)NO
| PubChem CID | 1990 |
|---|---|
| CAS | 546-88-3 |
| Molecular Weight (g/mol) | 75.067 |
| ChEBI | CHEBI:49029 |
| MDL Number | MFCD00009994 |
| SMILES | CC(=O)NO |
| Synonym | acetohydroxamic acid,methylhydroxamic acid,acetylhydroxamic acid,acetic acid, oxime,acetohydroximic acid,lithostat,n-acetylhydroxylamine,acetamide, n-hydroxy,acethydroxamsaure,acethydroxamsaeure |
| IUPAC Name | N-hydroxyacetamide |
| InChI Key | RRUDCFGSUDOHDG-UHFFFAOYSA-N |
| Molecular Formula | C2H5NO2 |
Isopropyl Crotonate 98.0+%, TCI America™
CAS: 6284-46-4 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00059053 InChI Key: AABBHSMFGKYLKE-SNAWJCMRSA-N Synonym: Crotonic Acid Isopropyl Ester PubChem CID: 5354359 IUPAC Name: propan-2-yl (E)-but-2-enoate SMILES: CC=CC(=O)OC(C)C
| PubChem CID | 5354359 |
|---|---|
| CAS | 6284-46-4 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00059053 |
| SMILES | CC=CC(=O)OC(C)C |
| Synonym | Crotonic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl (E)-but-2-enoate |
| InChI Key | AABBHSMFGKYLKE-SNAWJCMRSA-N |
| Molecular Formula | C7H12O2 |
Iron(II) Acetate 90.0+%, TCI America™
CAS: 3094-87-9 Molecular Formula: C4H6FeO4 Molecular Weight (g/mol): 173.93 MDL Number: MFCD00058909 InChI Key: LNOZJRCUHSPCDZ-UHFFFAOYSA-L Synonym: iron ii acetate,ferrous acetate,iron diacetate,iron di acetate,iron 2+ acetate,acetic acid, iron 2+ salt,acetic acid, iron 2+ salt 2:1,unii-l80i7m6d3q,ferrousacetate PubChem CID: 18344 IUPAC Name: λ²-iron(2+) diacetate SMILES: [Fe++].CC([O-])=O.CC([O-])=O
| PubChem CID | 18344 |
|---|---|
| CAS | 3094-87-9 |
| Molecular Weight (g/mol) | 173.93 |
| MDL Number | MFCD00058909 |
| SMILES | [Fe++].CC([O-])=O.CC([O-])=O |
| Synonym | iron ii acetate,ferrous acetate,iron diacetate,iron di acetate,iron 2+ acetate,acetic acid, iron 2+ salt,acetic acid, iron 2+ salt 2:1,unii-l80i7m6d3q,ferrousacetate |
| IUPAC Name | λ²-iron(2+) diacetate |
| InChI Key | LNOZJRCUHSPCDZ-UHFFFAOYSA-L |
| Molecular Formula | C4H6FeO4 |
Benzoylhydrazine 98.0+%, TCI America™
CAS: 613-94-5 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007596 InChI Key: WARCRYXKINZHGQ-UHFFFAOYSA-N Synonym: benzoylhydrazine,benzhydrazide,benzoic hydrazide,benzoyl hydrazine,benzoic acid, hydrazide,benzoic acid hydrazide,benzohydrazine,benzoylhydrazide,benzoyl hydrazide,hydrazine, benzoyl PubChem CID: 11955 ChEBI: CHEBI:38454 IUPAC Name: benzohydrazide SMILES: NNC(=O)C1=CC=CC=C1
| PubChem CID | 11955 |
|---|---|
| CAS | 613-94-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:38454 |
| MDL Number | MFCD00007596 |
| SMILES | NNC(=O)C1=CC=CC=C1 |
| Synonym | benzoylhydrazine,benzhydrazide,benzoic hydrazide,benzoyl hydrazine,benzoic acid, hydrazide,benzoic acid hydrazide,benzohydrazine,benzoylhydrazide,benzoyl hydrazide,hydrazine, benzoyl |
| IUPAC Name | benzohydrazide |
| InChI Key | WARCRYXKINZHGQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
cis-3-Hexenyl Acetate 97.0+%, TCI America™
CAS: 3681-71-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00036563 InChI Key: NPFVOOAXDOBMCE-PLNGDYQASA-N Synonym: cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate PubChem CID: 5363388 ChEBI: CHEBI:61316 IUPAC Name: [(Z)-hex-3-enyl] acetate SMILES: CCC=CCCOC(=O)C
| PubChem CID | 5363388 |
|---|---|
| CAS | 3681-71-8 |
| Molecular Weight (g/mol) | 142.198 |
| ChEBI | CHEBI:61316 |
| MDL Number | MFCD00036563 |
| SMILES | CCC=CCCOC(=O)C |
| Synonym | cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate |
| IUPAC Name | [(Z)-hex-3-enyl] acetate |
| InChI Key | NPFVOOAXDOBMCE-PLNGDYQASA-N |
| Molecular Formula | C8H14O2 |
Ethyl Diacetoacetate 96.0+%, TCI America™
CAS: 603-69-0 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009864 InChI Key: YMCDYRGMTRCAPZ-UHFFFAOYSA-N PubChem CID: 79063 IUPAC Name: ethyl 2-acetyl-3-oxobutanoate SMILES: CCOC(=O)C(C(=O)C)C(=O)C
| PubChem CID | 79063 |
|---|---|
| CAS | 603-69-0 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00009864 |
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C |
| IUPAC Name | ethyl 2-acetyl-3-oxobutanoate |
| InChI Key | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
Halosulfuron-methyl 98.0+%, TCI America™
CAS: 100784-20-1 Molecular Formula: C13H15ClN6O7S Molecular Weight (g/mol): 434.808 MDL Number: MFCD01631160 InChI Key: FMGZEUWROYGLAY-UHFFFAOYSA-N Synonym: Methyl 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate, 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic Acid Methyl Ester PubChem CID: 91763 ChEBI: CHEBI:81750 IUPAC Name: methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate SMILES: CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
| PubChem CID | 91763 |
|---|---|
| CAS | 100784-20-1 |
| Molecular Weight (g/mol) | 434.808 |
| ChEBI | CHEBI:81750 |
| MDL Number | MFCD01631160 |
| SMILES | CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC |
| Synonym | Methyl 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate, 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic Acid Methyl Ester |
| IUPAC Name | methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate |
| InChI Key | FMGZEUWROYGLAY-UHFFFAOYSA-N |
| Molecular Formula | C13H15ClN6O7S |
Dimethyl Bromomalonate 95.0+%, TCI America™
CAS: 868-26-8 Molecular Formula: C5H7BrO4 Molecular Weight (g/mol): 211.011 MDL Number: MFCD00025865 InChI Key: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonym: dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # PubChem CID: 70087 IUPAC Name: dimethyl 2-bromopropanedioate SMILES: COC(=O)C(C(=O)OC)Br
| PubChem CID | 70087 |
|---|---|
| CAS | 868-26-8 |
| Molecular Weight (g/mol) | 211.011 |
| MDL Number | MFCD00025865 |
| SMILES | COC(=O)C(C(=O)OC)Br |
| Synonym | dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # |
| IUPAC Name | dimethyl 2-bromopropanedioate |
| InChI Key | NEMOJKROKMMQBQ-UHFFFAOYSA-N |
| Molecular Formula | C5H7BrO4 |
Disodium 4-Nitrophenyl Phosphate Hexahydrate 98.0+%, TCI America™
CAS: 333338-18-4 Molecular Formula: C6H16NNa2O12P Molecular Weight (g/mol): 371.142 MDL Number: MFCD00066288 InChI Key: KAKKHKRHCKCAGH-UHFFFAOYSA-L Synonym: Phosphoric Acid 4-Nitrophenyl Ester Disodium Salt PubChem CID: 2723710 IUPAC Name: disodium;(4-nitrophenyl) phosphate;hexahydrate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+]
| PubChem CID | 2723710 |
|---|---|
| CAS | 333338-18-4 |
| Molecular Weight (g/mol) | 371.142 |
| MDL Number | MFCD00066288 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+] |
| Synonym | Phosphoric Acid 4-Nitrophenyl Ester Disodium Salt |
| IUPAC Name | disodium;(4-nitrophenyl) phosphate;hexahydrate |
| InChI Key | KAKKHKRHCKCAGH-UHFFFAOYSA-L |
| Molecular Formula | C6H16NNa2O12P |
Butyl Butyrate 99.0+%, TCI America™
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
| PubChem CID | 7983 |
|---|---|
| CAS | 109-21-7 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87429 |
| MDL Number | MFCD00009450 |
| SMILES | CCCCOC(=O)CCC |
| Synonym | butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate |
| IUPAC Name | butyl butanoate |
| InChI Key | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
1-Methoxy-5-methylphenazinium Methyl Sulfate 95.0+%, TCI America™
CAS: 65162-13-2 Molecular Formula: C15H16N2O5S Molecular Weight (g/mol): 336.362 MDL Number: MFCD00040648 InChI Key: MASUWVVNWALEEM-UHFFFAOYSA-M PubChem CID: 127832 IUPAC Name: 1-methoxy-5-methylphenazin-5-ium;methyl sulfate SMILES: C[N+]1=C2C=CC=C(C2=NC3=CC=CC=C31)OC.COS(=O)(=O)[O-]
| PubChem CID | 127832 |
|---|---|
| CAS | 65162-13-2 |
| Molecular Weight (g/mol) | 336.362 |
| MDL Number | MFCD00040648 |
| SMILES | C[N+]1=C2C=CC=C(C2=NC3=CC=CC=C31)OC.COS(=O)(=O)[O-] |
| IUPAC Name | 1-methoxy-5-methylphenazin-5-ium;methyl sulfate |
| InChI Key | MASUWVVNWALEEM-UHFFFAOYSA-M |
| Molecular Formula | C15H16N2O5S |
Trifluoromethanesulfonamide 98.0+%, TCI America™
CAS: 421-85-2 Molecular Formula: CH2F3NO2S Molecular Weight (g/mol): 149.09 MDL Number: MFCD00068714 InChI Key: KAKQVSNHTBLJCH-UHFFFAOYSA-N Synonym: trifluoromethanesulphonamide,trifluoromethane sulfonamide,trifluoromethylsulfonamide,1,1,1-trifluoromethanesulfonamide,chembl67511,methanesulfonamide, 1,1,1-trifluoro,1bcd,trifluoromethyl sulfonamide,triflamide,trifluorometanesulfonamide PubChem CID: 79001 IUPAC Name: trifluoromethanesulfonamide SMILES: NS(=O)(=O)C(F)(F)F
| PubChem CID | 79001 |
|---|---|
| CAS | 421-85-2 |
| Molecular Weight (g/mol) | 149.09 |
| MDL Number | MFCD00068714 |
| SMILES | NS(=O)(=O)C(F)(F)F |
| Synonym | trifluoromethanesulphonamide,trifluoromethane sulfonamide,trifluoromethylsulfonamide,1,1,1-trifluoromethanesulfonamide,chembl67511,methanesulfonamide, 1,1,1-trifluoro,1bcd,trifluoromethyl sulfonamide,triflamide,trifluorometanesulfonamide |
| IUPAC Name | trifluoromethanesulfonamide |
| InChI Key | KAKQVSNHTBLJCH-UHFFFAOYSA-N |
| Molecular Formula | CH2F3NO2S |
Sodium 1-Heptanesulfonate 98.0+%, TCI America™
CAS: 22767-50-6 Molecular Formula: C7H15NaO3S Molecular Weight (g/mol): 202.244 MDL Number: MFCD00007543 InChI Key: REFMEZARFCPESH-UHFFFAOYSA-M Synonym: sodium 1-heptanesulfonate,sodium heptane-1-sulfonate,1-heptanesulfonic acid sodium salt,1-heptanesulfonic acid, sodium salt,sodium heptane-1-sulphonate,1-heptanesulfonic acid, sodium salt 1:1,1-heptanesulfonic acid sodium,sodium heptanesulfonate,1-heptylsodiumsulfonate,sodium heptane sulfonate PubChem CID: 23672332 IUPAC Name: sodium;heptane-1-sulfonate SMILES: CCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23672332 |
|---|---|
| CAS | 22767-50-6 |
| Molecular Weight (g/mol) | 202.244 |
| MDL Number | MFCD00007543 |
| SMILES | CCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium 1-heptanesulfonate,sodium heptane-1-sulfonate,1-heptanesulfonic acid sodium salt,1-heptanesulfonic acid, sodium salt,sodium heptane-1-sulphonate,1-heptanesulfonic acid, sodium salt 1:1,1-heptanesulfonic acid sodium,sodium heptanesulfonate,1-heptylsodiumsulfonate,sodium heptane sulfonate |
| IUPAC Name | sodium;heptane-1-sulfonate |
| InChI Key | REFMEZARFCPESH-UHFFFAOYSA-M |
| Molecular Formula | C7H15NaO3S |
Ethyl Heptanoate 98.0+%, TCI America™
CAS: 106-30-9 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00009538 InChI Key: TVQGDYNRXLTQAP-UHFFFAOYSA-N Synonym: ethyl enanthate,oenanthic ether,wine oil,ethyl heptylate,grape oil,ethyl heptoate,heptanoic acid, ethyl ester,cognac oil,enanthylic ether,ethyl oenanthate PubChem CID: 7797 ChEBI: CHEBI:86618 IUPAC Name: ethyl heptanoate SMILES: CCCCCCC(=O)OCC
| PubChem CID | 7797 |
|---|---|
| CAS | 106-30-9 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:86618 |
| MDL Number | MFCD00009538 |
| SMILES | CCCCCCC(=O)OCC |
| Synonym | ethyl enanthate,oenanthic ether,wine oil,ethyl heptylate,grape oil,ethyl heptoate,heptanoic acid, ethyl ester,cognac oil,enanthylic ether,ethyl oenanthate |
| IUPAC Name | ethyl heptanoate |
| InChI Key | TVQGDYNRXLTQAP-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |