Organic acids and derivatives
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(-)-Gallocatechin gallate
CAS: 4233-96-9 Molecular Formula: C22H18O11 Molecular Weight (g/mol): 458.375 MDL Number: MFCD00214298 InChI Key: WMBWREPUVVBILR-NQIIRXRSSA-N Synonym: =--gallocatechin gallate,gallocatechin gallate,=--gallocatechol gallate,unii-irw3c4y31q,gallocatechin gallate gcg,irw3c4y31q,gallocatechin gallate,-,=--gallocatechin-3-o-gallate,2s,3r-5,7-dihydroxy-2-3,4,5-trihydroxyphenyl chroman-3-yl 3,4,5-trihydroxybenzoate,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-1 2h-benzopyran-3,5,7-triol 3-3,4,5-trihydroxybenzoate PubChem CID: 199472 IUPAC Name: [(2S,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 | 199472 |
|---|---|
| CAS | 4233-96-9 |
| Molecular Weight (g/mol) | 458.375 |
| MDL Number | MFCD00214298 |
| 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 | =--gallocatechin gallate,gallocatechin gallate,=--gallocatechol gallate,unii-irw3c4y31q,gallocatechin gallate gcg,irw3c4y31q,gallocatechin gallate,-,=--gallocatechin-3-o-gallate,2s,3r-5,7-dihydroxy-2-3,4,5-trihydroxyphenyl chroman-3-yl 3,4,5-trihydroxybenzoate,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-1 2h-benzopyran-3,5,7-triol 3-3,4,5-trihydroxybenzoate |
| IUPAC Name | [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChI Key | WMBWREPUVVBILR-NQIIRXRSSA-N |
| Molecular Formula | C22H18O11 |
tert-Butyldimethylsilyl trifluoromethanesulfonate, 98%
CAS: 69739-34-0 Molecular Formula: C7H15F3O3SSi Molecular Weight (g/mol): 264.33 MDL Number: MFCD00000405 InChI Key: WLLIXJBWWFGEHT-UHFFFAOYSA-N Synonym: tert-butyldimethylsilyl trifluoromethanesulfonate,trifluoromethanesulfonic acid tert-butyldimethylsilyl ester,tbdms triflate,t-butyldimethylsilyl triflate,tert-butyldimethylsilyl trifluoromethanesulphonate,tbdms-otf,tert-butyldimethylsilyl triflate,silane tbm2 triflate,t-butyldimethylsilyltrifluoromethanesulfonate,t-butylmethylsilyl triflate PubChem CID: 123564 IUPAC Name: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
| PubChem CID | 123564 |
|---|---|
| CAS | 69739-34-0 |
| Molecular Weight (g/mol) | 264.33 |
| MDL Number | MFCD00000405 |
| SMILES | CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F |
| Synonym | tert-butyldimethylsilyl trifluoromethanesulfonate,trifluoromethanesulfonic acid tert-butyldimethylsilyl ester,tbdms triflate,t-butyldimethylsilyl triflate,tert-butyldimethylsilyl trifluoromethanesulphonate,tbdms-otf,tert-butyldimethylsilyl triflate,silane tbm2 triflate,t-butyldimethylsilyltrifluoromethanesulfonate,t-butylmethylsilyl triflate |
| IUPAC Name | [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate |
| InChI Key | WLLIXJBWWFGEHT-UHFFFAOYSA-N |
| Molecular Formula | C7H15F3O3SSi |
Phenyl phosphate, disodium salt dihydrate, 98%
CAS: 66778-08-3 Molecular Formula: C6H5Na2O4P·2H2O Molecular Weight (g/mol): 254.09 MDL Number: MFCD00149080 InChI Key: UMRLIPYPVZYYFT-UHFFFAOYSA-N Synonym: sodiumphenylphosphatedibasicdihydrate PubChem CID: 131883070 IUPAC Name: phenyl dihydrogen phosphate;sodium;dihydrate SMILES: C1=CC=C(C=C1)OP(=O)(O)O.O.O.[Na].[Na]
| PubChem CID | 131883070 |
|---|---|
| CAS | 66778-08-3 |
| Molecular Weight (g/mol) | 254.09 |
| MDL Number | MFCD00149080 |
| SMILES | C1=CC=C(C=C1)OP(=O)(O)O.O.O.[Na].[Na] |
| Synonym | sodiumphenylphosphatedibasicdihydrate |
| IUPAC Name | phenyl dihydrogen phosphate;sodium;dihydrate |
| InChI Key | UMRLIPYPVZYYFT-UHFFFAOYSA-N |
| Molecular Formula | C6H5Na2O4P·2H2O |
Palladium(II) trifluoroacetate, 97%
CAS: 42196-31-6 Molecular Formula: C4F6O4Pd Molecular Weight (g/mol): 332.45 MDL Number: MFCD00013204 InChI Key: PBDBXAQKXCXZCJ-UHFFFAOYSA-L Synonym: palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d PubChem CID: 2733347 IUPAC Name: palladium(2+);2,2,2-trifluoroacetate SMILES: [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
| PubChem CID | 2733347 |
|---|---|
| CAS | 42196-31-6 |
| Molecular Weight (g/mol) | 332.45 |
| MDL Number | MFCD00013204 |
| SMILES | [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F |
| Synonym | palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d |
| IUPAC Name | palladium(2+);2,2,2-trifluoroacetate |
| InChI Key | PBDBXAQKXCXZCJ-UHFFFAOYSA-L |
| Molecular Formula | C4F6O4Pd |
Edetate Disodium, USP, EP, JP, bioCERTIFIED™, 1 kg, Spectrum Chemical
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6-Methylnicotinamide, 98%
CAS: 6960-22-1 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00006342 InChI Key: IJXDURUAYOKSIS-UHFFFAOYSA-N PubChem CID: 96351 IUPAC Name: 6-methylpyridine-3-carboxamide SMILES: CC1=NC=C(C=C1)C(=O)N
| PubChem CID | 96351 |
|---|---|
| CAS | 6960-22-1 |
| Molecular Weight (g/mol) | 136.154 |
| MDL Number | MFCD00006342 |
| SMILES | CC1=NC=C(C=C1)C(=O)N |
| IUPAC Name | 6-methylpyridine-3-carboxamide |
| InChI Key | IJXDURUAYOKSIS-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
1,3-Propanedisulfonic acid disodium salt, 99% (dry wt.)
CAS: 36589-58-9 Molecular Formula: C3H6Na2O6S2 Molecular Weight (g/mol): 248.175 MDL Number: MFCD00191483 InChI Key: DKGJFKPIUSHDIT-UHFFFAOYSA-L Synonym: eprodisate disodium,disodium 1,3-propanedisulfonate,kiacta,disodium propane-1,3-disulfonate,eprodisate sodium,unii-5x0d9h16iu,1,3-propanedisulfonic acid disodium salt,eprodisate disodium usan,1,3-propanedisulfonic acid, disodium salt PubChem CID: 6451143 IUPAC Name: disodium;propane-1,3-disulfonate SMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 6451143 |
|---|---|
| CAS | 36589-58-9 |
| Molecular Weight (g/mol) | 248.175 |
| MDL Number | MFCD00191483 |
| SMILES | C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | eprodisate disodium,disodium 1,3-propanedisulfonate,kiacta,disodium propane-1,3-disulfonate,eprodisate sodium,unii-5x0d9h16iu,1,3-propanedisulfonic acid disodium salt,eprodisate disodium usan,1,3-propanedisulfonic acid, disodium salt |
| IUPAC Name | disodium;propane-1,3-disulfonate |
| InChI Key | DKGJFKPIUSHDIT-UHFFFAOYSA-L |
| Molecular Formula | C3H6Na2O6S2 |
Isovaleric acid, 98%
CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O
| PubChem CID | 10430 |
|---|---|
| CAS | 503-74-2 |
| Molecular Weight (g/mol) | 102.13 |
| ChEBI | CHEBI:28484 |
| MDL Number | MFCD00002726 |
| SMILES | CC(C)CC(O)=O |
| Synonym | isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid |
| IUPAC Name | 3-methylbutanoic acid |
| InChI Key | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
N-Formylmorpholine, 99%
CAS: 4394-85-8 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.13 MDL Number: MFCD00006170 InChI Key: LCEDQNDDFOCWGG-UHFFFAOYSA-N Synonym: 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin PubChem CID: 20417 ChEBI: CHEBI:43989 IUPAC Name: morpholine-4-carbaldehyde SMILES: C1COCCN1C=O
| PubChem CID | 20417 |
|---|---|
| CAS | 4394-85-8 |
| Molecular Weight (g/mol) | 115.13 |
| ChEBI | CHEBI:43989 |
| MDL Number | MFCD00006170 |
| SMILES | C1COCCN1C=O |
| Synonym | 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin |
| IUPAC Name | morpholine-4-carbaldehyde |
| InChI Key | LCEDQNDDFOCWGG-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO2 |
Cyclopropylboronic acid pinacol ester, 96%
CAS: 126689-01-8 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD05663847 InChI Key: XGBMQBPLWXTEPM-UHFFFAOYSA-N Synonym: cyclopropylboronic acid pinacol ester,cyclopropylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclopropane,1,3,2-dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborol,cypbe,pubchem4015,pubchem7931,acmc-209bbh PubChem CID: 2758015 IUPAC Name: 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1CC1
| PubChem CID | 2758015 |
|---|---|
| CAS | 126689-01-8 |
| Molecular Weight (g/mol) | 168.04 |
| MDL Number | MFCD05663847 |
| SMILES | CC1(C)OB(OC1(C)C)C1CC1 |
| Synonym | cyclopropylboronic acid pinacol ester,cyclopropylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclopropane,1,3,2-dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborol,cypbe,pubchem4015,pubchem7931,acmc-209bbh |
| IUPAC Name | 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | XGBMQBPLWXTEPM-UHFFFAOYSA-N |
| Molecular Formula | C9H17BO2 |
Isobutylboronic acid, 97%
CAS: 84110-40-7 Molecular Formula: C4H11BO2 Molecular Weight (g/mol): 101.94 MDL Number: MFCD00134156 InChI Key: ZAZPDOYUCVFPOI-UHFFFAOYSA-N Synonym: isobutylboronic acid,isobutaneboronic acid,2-methylpropyl boronic acid,1-isobutaneboronic acid,2-methylpropaneboronic acid,2-methylprop-1-ylboronic acid,unii-khx76h7jhz,khx76h7jhz,2-methyl-1-propylboronic acid,2-methyl-1-propaneboronic acid PubChem CID: 2734395 IUPAC Name: 2-methylpropylboronic acid SMILES: CC(C)CB(O)O
| PubChem CID | 2734395 |
|---|---|
| CAS | 84110-40-7 |
| Molecular Weight (g/mol) | 101.94 |
| MDL Number | MFCD00134156 |
| SMILES | CC(C)CB(O)O |
| Synonym | isobutylboronic acid,isobutaneboronic acid,2-methylpropyl boronic acid,1-isobutaneboronic acid,2-methylpropaneboronic acid,2-methylprop-1-ylboronic acid,unii-khx76h7jhz,khx76h7jhz,2-methyl-1-propylboronic acid,2-methyl-1-propaneboronic acid |
| IUPAC Name | 2-methylpropylboronic acid |
| InChI Key | ZAZPDOYUCVFPOI-UHFFFAOYSA-N |
| Molecular Formula | C4H11BO2 |
Ethylenediaminetetraacetic acid manganese disodium salt hydrate
CAS: 15375-84-5 Molecular Formula: C10H12MnN2Na2O8 Molecular Weight (g/mol): 389.13 MDL Number: MFCD00661156 InChI Key: ZQHKAIDDHTYINE-UHFFFAOYSA-J Synonym: disodium manganese edta,edta disodium manganese salt,disodium manganese ethylenediaminetetraacetate,manganese disodium ethylene diamine tetraacetate,ethylenediaminetetraacetic acid, disodium manganese salt,disodium ethylenedinitrilo tetraacetato manganese,manganate 2-, disodium,glycine,n'-1,2-ethanediylbis n-carboxymethyl-, manganese disodium salt,manganate 2-,n'-1,2-ethanediylbis n-carboxymethyl glycinato 4--n,n',o,o',on,on'-, disodium, oc-6-21 PubChem CID: 5148022 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;manganese(2+) SMILES: [Na+].[Na+].[Mn++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 5148022 |
|---|---|
| CAS | 15375-84-5 |
| Molecular Weight (g/mol) | 389.13 |
| MDL Number | MFCD00661156 |
| SMILES | [Na+].[Na+].[Mn++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| Synonym | disodium manganese edta,edta disodium manganese salt,disodium manganese ethylenediaminetetraacetate,manganese disodium ethylene diamine tetraacetate,ethylenediaminetetraacetic acid, disodium manganese salt,disodium ethylenedinitrilo tetraacetato manganese,manganate 2-, disodium,glycine,n'-1,2-ethanediylbis n-carboxymethyl-, manganese disodium salt,manganate 2-,n'-1,2-ethanediylbis n-carboxymethyl glycinato 4--n,n',o,o',on,on'-, disodium, oc-6-21 |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;manganese(2+) |
| InChI Key | ZQHKAIDDHTYINE-UHFFFAOYSA-J |
| Molecular Formula | C10H12MnN2Na2O8 |
Sodium 1-heptanesulfonate monohydrate, 99.0% (T), MilliporeSigma™ Supelco™
CAS: 207300-90-1 Molecular Formula: C7H17NaO4S Molecular Weight (g/mol): 220.26 MDL Number: MFCD00149550 InChI Key: XWZCREJRXRKIRQ-UHFFFAOYSA-M Synonym: 1-Heptanesulfonic acid sodium salt monohydrate IUPAC Name: sodium heptane-1-sulfonate hydrate SMILES: O.[Na+].CCCCCCCS([O-])(=O)=O
| CAS | 207300-90-1 |
|---|---|
| Molecular Weight (g/mol) | 220.26 |
| MDL Number | MFCD00149550 |
| SMILES | O.[Na+].CCCCCCCS([O-])(=O)=O |
| Synonym | 1-Heptanesulfonic acid sodium salt monohydrate |
| IUPAC Name | sodium heptane-1-sulfonate hydrate |
| InChI Key | XWZCREJRXRKIRQ-UHFFFAOYSA-M |
| Molecular Formula | C7H17NaO4S |
3-(N,N-Dimethylmyristylammonio)propanesulfonate, 97%
CAS: 14933-09-6 Molecular Formula: C19H41NO3S Molecular Weight (g/mol): 363.61 MDL Number: MFCD00036910 InChI Key: BHATUINFZWUDIX-UHFFFAOYSA-N Synonym: myristyl sulfobetaine,zwittergent 3-14,n-tetradecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-dimethyl tetradecyl ammonio propane-1-sulfonate,3-n,n-dimethylmyristylammonio propanesulfonate,dimethyl 3-sulphonatopropyl tetradecylammonium,zwittergent™ 3-14 detergent,3-myristyldimethylammonio propanesulfonate,3-n,n-dimethyltetradecylammonio propanesulfonate PubChem CID: 84705 ChEBI: CHEBI:10129 IUPAC Name: 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate SMILES: CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
| PubChem CID | 84705 |
|---|---|
| CAS | 14933-09-6 |
| Molecular Weight (g/mol) | 363.61 |
| ChEBI | CHEBI:10129 |
| MDL Number | MFCD00036910 |
| SMILES | CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| Synonym | myristyl sulfobetaine,zwittergent 3-14,n-tetradecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-dimethyl tetradecyl ammonio propane-1-sulfonate,3-n,n-dimethylmyristylammonio propanesulfonate,dimethyl 3-sulphonatopropyl tetradecylammonium,zwittergent™ 3-14 detergent,3-myristyldimethylammonio propanesulfonate,3-n,n-dimethyltetradecylammonio propanesulfonate |
| IUPAC Name | 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate |
| InChI Key | BHATUINFZWUDIX-UHFFFAOYSA-N |
| Molecular Formula | C19H41NO3S |