Organic acids and derivatives
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Copper(II) gluconate
CAS: 527-09-3 Molecular Formula: C12H22CuO14 Molecular Weight (g/mol): 453.84 MDL Number: MFCD00075297 InChI Key: OCUCCJIRFHNWBP-IYEMJOQQSA-L Synonym: copper gluconate PubChem CID: 131854750 ChEBI: CHEBI:31431 IUPAC Name: copper;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Cu+2]
| PubChem CID | 131854750 |
|---|---|
| CAS | 527-09-3 |
| Molecular Weight (g/mol) | 453.84 |
| ChEBI | CHEBI:31431 |
| MDL Number | MFCD00075297 |
| SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Cu+2] |
| Synonym | copper gluconate |
| IUPAC Name | copper;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | OCUCCJIRFHNWBP-IYEMJOQQSA-L |
| Molecular Formula | C12H22CuO14 |
Ethyl cyanoacetate, 98+%
CAS: 105-56-6 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00001940 InChI Key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N Synonym: ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate PubChem CID: 7764 IUPAC Name: ethyl 2-cyanoacetate SMILES: CCOC(=O)CC#N
| PubChem CID | 7764 |
|---|---|
| CAS | 105-56-6 |
| Molecular Weight (g/mol) | 113.12 |
| MDL Number | MFCD00001940 |
| SMILES | CCOC(=O)CC#N |
| Synonym | ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate |
| IUPAC Name | ethyl 2-cyanoacetate |
| InChI Key | ZIUSEGSNTOUIPT-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
Zinc acetate, anhydrous, 99.9+%
CAS: 557-34-6 Molecular Formula: C4H6O4Zn Molecular Weight (g/mol): 183.468 MDL Number: MFCD00012454 InChI Key: DJWUNCQRNNEAKC-UHFFFAOYSA-L Synonym: zinc acetate,zinc diacetate,zinc ii acetate,acetic acid, zinc salt,dicarbomethoxyzinc,acetic acid, zinc ii salt,zinc di acetate,galzin,zinc acetate anhydrous,siltex cl 4 PubChem CID: 11192 ChEBI: CHEBI:62984 IUPAC Name: zinc;diacetate SMILES: CC(=O)[O-].CC(=O)[O-].[Zn+2]
| PubChem CID | 11192 |
|---|---|
| CAS | 557-34-6 |
| Molecular Weight (g/mol) | 183.468 |
| ChEBI | CHEBI:62984 |
| MDL Number | MFCD00012454 |
| SMILES | CC(=O)[O-].CC(=O)[O-].[Zn+2] |
| Synonym | zinc acetate,zinc diacetate,zinc ii acetate,acetic acid, zinc salt,dicarbomethoxyzinc,acetic acid, zinc ii salt,zinc di acetate,galzin,zinc acetate anhydrous,siltex cl 4 |
| IUPAC Name | zinc;diacetate |
| InChI Key | DJWUNCQRNNEAKC-UHFFFAOYSA-L |
| Molecular Formula | C4H6O4Zn |
2-Hydroxyethyl methacrylate, 97%, stab. with 4-methoxyphenol
CAS: 868-77-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00002863 InChI Key: WOBHKFSMXKNTIM-UHFFFAOYSA-N Synonym: 2-hydroxyethyl methacrylate,glycol methacrylate,hydroxyethyl methacrylate,glycol monomethacrylate,hema,ethylene glycol methacrylate,2-methacryloyloxy ethanol,2-hydroxyethylmethacrylate,mhoromer,monomer mg-1 PubChem CID: 13360 ChEBI: CHEBI:34288 IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCO
| PubChem CID | 13360 |
|---|---|
| CAS | 868-77-9 |
| Molecular Weight (g/mol) | 130.143 |
| ChEBI | CHEBI:34288 |
| MDL Number | MFCD00002863 |
| SMILES | CC(=C)C(=O)OCCO |
| Synonym | 2-hydroxyethyl methacrylate,glycol methacrylate,hydroxyethyl methacrylate,glycol monomethacrylate,hema,ethylene glycol methacrylate,2-methacryloyloxy ethanol,2-hydroxyethylmethacrylate,mhoromer,monomer mg-1 |
| IUPAC Name | 2-hydroxyethyl 2-methylprop-2-enoate |
| InChI Key | WOBHKFSMXKNTIM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
Trifluoromethanesulfonic acid, 98+%
CAS: 1493-13-6 Molecular Formula: CHF3O3S Molecular Weight (g/mol): 150.07 MDL Number: MFCD00007514 InChI Key: ITMCEJHCFYSIIV-UHFFFAOYSA-N Synonym: triflic acid,perfluoromethanesulfonic acid,trifluoromethanesulphonic acid,tfmsa,trifluoromethane sulfonic acid,tfoh,methanesulfonic acid, trifluoro,hotf,trifluoromethylsulfonic acid,trimsylate PubChem CID: 62406 ChEBI: CHEBI:48511 IUPAC Name: trifluoromethanesulfonic acid SMILES: OS(=O)(=O)C(F)(F)F
| PubChem CID | 62406 |
|---|---|
| CAS | 1493-13-6 |
| Molecular Weight (g/mol) | 150.07 |
| ChEBI | CHEBI:48511 |
| MDL Number | MFCD00007514 |
| SMILES | OS(=O)(=O)C(F)(F)F |
| Synonym | triflic acid,perfluoromethanesulfonic acid,trifluoromethanesulphonic acid,tfmsa,trifluoromethane sulfonic acid,tfoh,methanesulfonic acid, trifluoro,hotf,trifluoromethylsulfonic acid,trimsylate |
| IUPAC Name | trifluoromethanesulfonic acid |
| InChI Key | ITMCEJHCFYSIIV-UHFFFAOYSA-N |
| Molecular Formula | CHF3O3S |
1-Decanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous
CAS: 13419-61-9 Molecular Formula: C10H21NaO3S Molecular Weight (g/mol): 244.32 MDL Number: MFCD00007526 InChI Key: AIMUHNZKNFEZSN-UHFFFAOYSA-M Synonym: sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt PubChem CID: 2724181 IUPAC Name: sodium;decane-1-sulfonate SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 2724181 |
|---|---|
| CAS | 13419-61-9 |
| Molecular Weight (g/mol) | 244.32 |
| MDL Number | MFCD00007526 |
| SMILES | CCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt |
| IUPAC Name | sodium;decane-1-sulfonate |
| InChI Key | AIMUHNZKNFEZSN-UHFFFAOYSA-M |
| Molecular Formula | C10H21NaO3S |
Dimethyl carbonate, 99%
CAS: 616-38-6 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.08 MDL Number: MFCD00008420 InChI Key: IEJIGPNLZYLLBP-UHFFFAOYSA-N Synonym: methyl carbonate,carbonic acid, dimethyl ester,carbonic acid dimethyl ester,methyl carbonate meo 2co,unii-ke9j097spn,dimethylcarbonate,ch3ocooch3,ke9j097spn,dimethyl ester of carbonic acid,dsstox_cid_9192 PubChem CID: 12021 ChEBI: CHEBI:36596 IUPAC Name: dimethyl carbonate SMILES: COC(=O)OC
| PubChem CID | 12021 |
|---|---|
| CAS | 616-38-6 |
| Molecular Weight (g/mol) | 90.08 |
| ChEBI | CHEBI:36596 |
| MDL Number | MFCD00008420 |
| SMILES | COC(=O)OC |
| Synonym | methyl carbonate,carbonic acid, dimethyl ester,carbonic acid dimethyl ester,methyl carbonate meo 2co,unii-ke9j097spn,dimethylcarbonate,ch3ocooch3,ke9j097spn,dimethyl ester of carbonic acid,dsstox_cid_9192 |
| IUPAC Name | dimethyl carbonate |
| InChI Key | IEJIGPNLZYLLBP-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
Mercury(II) acetate, 98+%
CAS: 1600-27-7 Molecular Formula: C4H6HgO4 Molecular Weight (g/mol): 318.68 MDL Number: MFCD00012165 InChI Key: BRMYZIKAHFEUFJ-UHFFFAOYSA-L Synonym: mercury 2+ ion acetic acid PubChem CID: 15337 ChEBI: CHEBI:33211 IUPAC Name: mercury(2+);diacetate SMILES: CC(=O)[O-].CC(=O)[O-].[Hg+2]
| PubChem CID | 15337 |
|---|---|
| CAS | 1600-27-7 |
| Molecular Weight (g/mol) | 318.68 |
| ChEBI | CHEBI:33211 |
| MDL Number | MFCD00012165 |
| SMILES | CC(=O)[O-].CC(=O)[O-].[Hg+2] |
| Synonym | mercury 2+ ion acetic acid |
| IUPAC Name | mercury(2+);diacetate |
| InChI Key | BRMYZIKAHFEUFJ-UHFFFAOYSA-L |
| Molecular Formula | C4H6HgO4 |
Vinyl acetate, 99+%, stabilized
CAS: 108-05-4 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 InChI Key: XTXRWKRVRITETP-UHFFFAOYSA-N Synonym: vinyl acetate,acetic acid ethenyl ester,acetic acid vinyl ester,ethenyl ethanoate,1-acetoxyethylene,vinyl ethanoate,acetoxyethene,vinylacetat,vinyl acetate monomer,vinyl a monomer PubChem CID: 7904 ChEBI: CHEBI:46916 IUPAC Name: ethenyl acetate SMILES: CC(=O)OC=C
| PubChem CID | 7904 |
|---|---|
| CAS | 108-05-4 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:46916 |
| SMILES | CC(=O)OC=C |
| Synonym | vinyl acetate,acetic acid ethenyl ester,acetic acid vinyl ester,ethenyl ethanoate,1-acetoxyethylene,vinyl ethanoate,acetoxyethene,vinylacetat,vinyl acetate monomer,vinyl a monomer |
| IUPAC Name | ethenyl acetate |
| InChI Key | XTXRWKRVRITETP-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
alpha-Ketoglutaric acid disodium salt dihydrate, 99%
CAS: 305-72-6 Molecular Formula: C5H4Na2O5 Molecular Weight (g/mol): 190.062 MDL Number: MFCD00150702 InChI Key: YBGBJYVHJTVUSL-UHFFFAOYSA-L Synonym: disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate PubChem CID: 31040 IUPAC Name: disodium;2-oxopentanedioate SMILES: C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
| PubChem CID | 31040 |
|---|---|
| CAS | 305-72-6 |
| Molecular Weight (g/mol) | 190.062 |
| MDL Number | MFCD00150702 |
| SMILES | C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate |
| IUPAC Name | disodium;2-oxopentanedioate |
| InChI Key | YBGBJYVHJTVUSL-UHFFFAOYSA-L |
| Molecular Formula | C5H4Na2O5 |
Thermo Scientific Chemicals (-)-Epigallocatechin gallate, 95%
CAS: 989-51-5 Molecular Formula: C22H18O11 Molecular Weight (g/mol): 458.37 MDL Number: MFCD00075940 InChI Key: WMBWREPUVVBILR-WIYYLYMNSA-N Synonym: =--epigallocatechin gallate,egcg,epigallocatechin gallate,epigallocatechin 3-gallate,tea catechin,epigallocatechin-3-gallate,=--epigallocatechin-3-o-gallate,teavigo,=--epigallocatechol gallate,epigallocatechin-3-monogallate PubChem CID: 65064 ChEBI: CHEBI:4806 IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
| PubChem CID | 65064 |
|---|---|
| CAS | 989-51-5 |
| Molecular Weight (g/mol) | 458.37 |
| ChEBI | CHEBI:4806 |
| MDL Number | MFCD00075940 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| Synonym | =--epigallocatechin gallate,egcg,epigallocatechin gallate,epigallocatechin 3-gallate,tea catechin,epigallocatechin-3-gallate,=--epigallocatechin-3-o-gallate,teavigo,=--epigallocatechol gallate,epigallocatechin-3-monogallate |
| IUPAC Name | [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChI Key | WMBWREPUVVBILR-WIYYLYMNSA-N |
| Molecular Formula | C22H18O11 |
Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, tetrasodium salt dihydrate, 99%
CAS: 10378-23-1 Molecular Formula: C10H12N2Na4O8·2H2O Molecular Weight (g/mol): 416.21 InChI Key: DGWOWDJDIBPYOR-UHFFFAOYSA-N Synonym: ethylenediaminetetraacetic acid tetrasodium salt dihydrate,tetrasodium ethylenediaminetetraacetate dihydrate,edta-na4,edta tetrasodium salt,edta tetrasodium salt hydrate,ethylenediaminetetraacetic acid tetrasodium salt hydrate,64-02-8 anhydrous,ksc909a7h,edta tetrasodium salt dihydrate,tetrapotassium ion 4-edta dihydrate PubChem CID: 131843362 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sodium;dihydrate SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O.O.[Na].[Na].[Na].[Na]
| PubChem CID | 131843362 |
|---|---|
| CAS | 10378-23-1 |
| Molecular Weight (g/mol) | 416.21 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O.O.[Na].[Na].[Na].[Na] |
| Synonym | ethylenediaminetetraacetic acid tetrasodium salt dihydrate,tetrasodium ethylenediaminetetraacetate dihydrate,edta-na4,edta tetrasodium salt,edta tetrasodium salt hydrate,ethylenediaminetetraacetic acid tetrasodium salt hydrate,64-02-8 anhydrous,ksc909a7h,edta tetrasodium salt dihydrate,tetrapotassium ion 4-edta dihydrate |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sodium;dihydrate |
| InChI Key | DGWOWDJDIBPYOR-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2Na4O8·2H2O |
Methyl Propionate, 99+%
CAS: 554-12-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00009306 InChI Key: RJUFJBKOKNCXHH-UHFFFAOYSA-N Synonym: methyl propionate,propanoic acid, methyl ester,methyl propylate,methylpropionate,propionic acid, methyl ester,propionate de methyle,propanoic acid methyl ester,fema number 2742,propionic acid methyl ester,methyl propionate natural PubChem CID: 11124 IUPAC Name: methyl propanoate SMILES: CCC(=O)OC
| PubChem CID | 11124 |
|---|---|
| CAS | 554-12-1 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00009306 |
| SMILES | CCC(=O)OC |
| Synonym | methyl propionate,propanoic acid, methyl ester,methyl propylate,methylpropionate,propionic acid, methyl ester,propionate de methyle,propanoic acid methyl ester,fema number 2742,propionic acid methyl ester,methyl propionate natural |
| IUPAC Name | methyl propanoate |
| InChI Key | RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Ethylenediaminetetraacetic acid disodium salt, 0.200N (0.1M) Standardized solution
CAS: 139-33-3 Molecular Formula: C10H14N2Na2O8 Molecular Weight (g/mol): 336.21 MDL Number: MFCD00070672,MFCD00003541,MFCD00070672,MFCD00150037 InChI Key: ZGTMUACCHSMWAC-UHFFFAOYSA-L Synonym: ethylenediaminetetraacetic acid disodium salt,edta na2,disodium 2-2-bis carboxymethyl amino ethyl-carboxymethyl amino acetic acid PubChem CID: 57339238 ChEBI: CHEBI:64734 IUPAC Name: disodium;2-[2-[bis(carboxylatomethyl)azaniumyl]ethyl-(carboxylatomethyl)azaniumyl]acetate SMILES: [Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 57339238 |
|---|---|
| CAS | 139-33-3 |
| Molecular Weight (g/mol) | 336.21 |
| ChEBI | CHEBI:64734 |
| MDL Number | MFCD00070672,MFCD00003541,MFCD00070672,MFCD00150037 |
| SMILES | [Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| Synonym | ethylenediaminetetraacetic acid disodium salt,edta na2,disodium 2-2-bis carboxymethyl amino ethyl-carboxymethyl amino acetic acid |
| IUPAC Name | disodium;2-[2-[bis(carboxylatomethyl)azaniumyl]ethyl-(carboxylatomethyl)azaniumyl]acetate |
| InChI Key | ZGTMUACCHSMWAC-UHFFFAOYSA-L |
| Molecular Formula | C10H14N2Na2O8 |
Thermo Scientific Chemicals o-Cresolphthalein complexone, indicator grade
CAS: 2411-89-4 Molecular Formula: C32H32N2O12 Molecular Weight (g/mol): 636.61 MDL Number: MFCD00005911 InChI Key: IYZPEGVSBUNMBE-UHFFFAOYSA-N Synonym: o-cresolphthalein complexone,phthalein purple,cresolphthalexon,o-cresolphthalexon,phthalein complexon,o-cresolphthalein complexon,cresolphthalein complexon,metal phthalein,cresolphthalein complexone,unii-a4p6737i7f PubChem CID: 75485 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC1=CC(=CC(CN(CC(O)=O)CC(O)=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(CC(O)=O)CC(O)=O)=C1
| PubChem CID | 75485 |
|---|---|
| CAS | 2411-89-4 |
| Molecular Weight (g/mol) | 636.61 |
| MDL Number | MFCD00005911 |
| SMILES | CC1=CC(=CC(CN(CC(O)=O)CC(O)=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(CC(O)=O)CC(O)=O)=C1 |
| Synonym | o-cresolphthalein complexone,phthalein purple,cresolphthalexon,o-cresolphthalexon,phthalein complexon,o-cresolphthalein complexon,cresolphthalein complexon,metal phthalein,cresolphthalein complexone,unii-a4p6737i7f |
| IUPAC Name | 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| InChI Key | IYZPEGVSBUNMBE-UHFFFAOYSA-N |
| Molecular Formula | C32H32N2O12 |