Organic acids and derivatives
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Ethyl methanesulfonate, 99%
CAS: 62-50-0 Molecular Formula: C3H8O3S Molecular Weight (g/mol): 124.15 MDL Number: MFCD00007559 InChI Key: PLUBXMRUUVWRLT-UHFFFAOYSA-N Synonym: ethyl mesylate,ethyl methanesulphonate,half-myleran,methanesulfonic acid, ethyl ester,methanesulfonic acid ethyl ester,methylsulfonic acid, ethyl ester,rcra waste number u119,ethyl methansulphonate,ethyl ester of methylsulfonic acid,ethyl ester of methanesulfonic acid PubChem CID: 6113 ChEBI: CHEBI:23994 IUPAC Name: ethyl methanesulfonate SMILES: CCOS(=O)(=O)C
| PubChem CID | 6113 |
|---|---|
| CAS | 62-50-0 |
| Molecular Weight (g/mol) | 124.15 |
| ChEBI | CHEBI:23994 |
| MDL Number | MFCD00007559 |
| SMILES | CCOS(=O)(=O)C |
| Synonym | ethyl mesylate,ethyl methanesulphonate,half-myleran,methanesulfonic acid, ethyl ester,methanesulfonic acid ethyl ester,methylsulfonic acid, ethyl ester,rcra waste number u119,ethyl methansulphonate,ethyl ester of methylsulfonic acid,ethyl ester of methanesulfonic acid |
| IUPAC Name | ethyl methanesulfonate |
| InChI Key | PLUBXMRUUVWRLT-UHFFFAOYSA-N |
| Molecular Formula | C3H8O3S |
4-Carboxyphenylboronic acid, 97%
CAS: 14047-29-1 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.94 MDL Number: MFCD00151801 InChI Key: SIAVMDKGVRXFAX-UHFFFAOYSA-N Synonym: 4-carboxyphenylboronic acid,4-carboxybenzeneboronic acid,4-dihydroxyboranyl benzoic acid,benzoic acid, 4-borono,4-dihydroxyboryl benzoic acid,p-carboxyphenylboronic acid,4-phenylester boronic acid,4-carboxyphenyl boronic acid,chembl82324 PubChem CID: 312183 IUPAC Name: 4-boronobenzoic acid SMILES: OB(O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 312183 |
|---|---|
| CAS | 14047-29-1 |
| Molecular Weight (g/mol) | 165.94 |
| MDL Number | MFCD00151801 |
| SMILES | OB(O)C1=CC=C(C=C1)C(O)=O |
| Synonym | 4-carboxyphenylboronic acid,4-carboxybenzeneboronic acid,4-dihydroxyboranyl benzoic acid,benzoic acid, 4-borono,4-dihydroxyboryl benzoic acid,p-carboxyphenylboronic acid,4-phenylester boronic acid,4-carboxyphenyl boronic acid,chembl82324 |
| IUPAC Name | 4-boronobenzoic acid |
| InChI Key | SIAVMDKGVRXFAX-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
Dimethyl fumarate, 99%
CAS: 624-49-7 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.13 MDL Number: MFCD00064438 InChI Key: LDCRTTXIJACKKU-ONEGZZNKSA-N Synonym: dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate PubChem CID: 637568 ChEBI: CHEBI:76004 IUPAC Name: dimethyl (E)-but-2-enedioate SMILES: COC(=O)C=CC(=O)OC
| PubChem CID | 637568 |
|---|---|
| CAS | 624-49-7 |
| Molecular Weight (g/mol) | 144.13 |
| ChEBI | CHEBI:76004 |
| MDL Number | MFCD00064438 |
| SMILES | COC(=O)C=CC(=O)OC |
| Synonym | dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate |
| IUPAC Name | dimethyl (E)-but-2-enedioate |
| InChI Key | LDCRTTXIJACKKU-ONEGZZNKSA-N |
| Molecular Formula | C6H8O4 |
(-)-Diethyl D-tartrate, 99%
CAS: 13811-71-7 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00064451 InChI Key: YSAVZVORKRDODB-WDSKDSINSA-N Synonym: --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate PubChem CID: 117410 IUPAC Name: diethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
| PubChem CID | 117410 |
|---|---|
| CAS | 13811-71-7 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00064451 |
| SMILES | CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC |
| Synonym | --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate |
| IUPAC Name | diethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-WDSKDSINSA-N |
| Molecular Formula | C8H14O6 |
3-Indoxyl sulfate potassium salt, 97%
CAS: 2642-37-7 Molecular Formula: C8H6KNO4S Molecular Weight (g/mol): 251.297 MDL Number: MFCD00037931 InChI Key: MDAWATNFDJIBBD-UHFFFAOYSA-M Synonym: potassium 1h-indol-3-yl sulfate,urinary indican,potassium indol-3-yl sulfate,indican urinary,indol-3-yl potassium sulfate,indoxyl sulfate potassium salt,potassium indol-3-yl sulphate,unii-567hmw942w,indol-3-ol, potassium sulfate,indol-3-yl sulfate, potassium salt PubChem CID: 5177095 IUPAC Name: potassium;1H-indol-3-yl sulfate SMILES: C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]
| PubChem CID | 5177095 |
|---|---|
| CAS | 2642-37-7 |
| Molecular Weight (g/mol) | 251.297 |
| MDL Number | MFCD00037931 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+] |
| Synonym | potassium 1h-indol-3-yl sulfate,urinary indican,potassium indol-3-yl sulfate,indican urinary,indol-3-yl potassium sulfate,indoxyl sulfate potassium salt,potassium indol-3-yl sulphate,unii-567hmw942w,indol-3-ol, potassium sulfate,indol-3-yl sulfate, potassium salt |
| IUPAC Name | potassium;1H-indol-3-yl sulfate |
| InChI Key | MDAWATNFDJIBBD-UHFFFAOYSA-M |
| Molecular Formula | C8H6KNO4S |
(+)-Diisopropyl L-tartrate, 97%
CAS: 2217-15-4 Molecular Formula: C10H18O6 Molecular Weight (g/mol): 234.248 MDL Number: MFCD00064450 InChI Key: XEBCWEDRGPSHQH-HTQZYQBOSA-N Synonym: +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate PubChem CID: 6453580 IUPAC Name: dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O
| PubChem CID | 6453580 |
|---|---|
| CAS | 2217-15-4 |
| Molecular Weight (g/mol) | 234.248 |
| MDL Number | MFCD00064450 |
| SMILES | CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O |
| Synonym | +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate |
| IUPAC Name | dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | XEBCWEDRGPSHQH-HTQZYQBOSA-N |
| Molecular Formula | C10H18O6 |
Methyl glycolate, 98%
CAS: 96-35-5 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00004667 InChI Key: GSJFXBNYJCXDGI-UHFFFAOYSA-N Synonym: methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate PubChem CID: 66774 IUPAC Name: methyl 2-hydroxyacetate SMILES: COC(=O)CO
| PubChem CID | 66774 |
|---|---|
| CAS | 96-35-5 |
| Molecular Weight (g/mol) | 90.078 |
| MDL Number | MFCD00004667 |
| SMILES | COC(=O)CO |
| Synonym | methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate |
| IUPAC Name | methyl 2-hydroxyacetate |
| InChI Key | GSJFXBNYJCXDGI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
N-2-Acetylguanine, 99%
CAS: 19962-37-9 Molecular Formula: C7H7N5O2 Molecular Weight (g/mol): 193.17 MDL Number: MFCD00078201 InChI Key: MXSMRDDXWJSGMC-UHFFFAOYSA-N Synonym: 2-acetamido-6-hydroxypurine,n-2-acetylguanine,n2-acetylguanine,n-acetylguanine,n-6-hydroxy-9h-purin-2-yl acetamide,2-n-acetylguanine,acetamide, n-6,7-dihydro-6-oxo-1h-purin-2-yl,n-6,7-dihydro-6-oxo-1h-purin-2-yl acetamide,n-6-hydroxypurin-2-yl acetamide,n-6-oxo-1,9-dihydropurin-2-yl acetamide PubChem CID: 88319 IUPAC Name: N-(6-oxo-3,7-dihydropurin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N=CN2
| PubChem CID | 88319 |
|---|---|
| CAS | 19962-37-9 |
| Molecular Weight (g/mol) | 193.17 |
| MDL Number | MFCD00078201 |
| SMILES | CC(=O)NC1=NC(=O)C2=C(N1)N=CN2 |
| Synonym | 2-acetamido-6-hydroxypurine,n-2-acetylguanine,n2-acetylguanine,n-acetylguanine,n-6-hydroxy-9h-purin-2-yl acetamide,2-n-acetylguanine,acetamide, n-6,7-dihydro-6-oxo-1h-purin-2-yl,n-6,7-dihydro-6-oxo-1h-purin-2-yl acetamide,n-6-hydroxypurin-2-yl acetamide,n-6-oxo-1,9-dihydropurin-2-yl acetamide |
| IUPAC Name | N-(6-oxo-3,7-dihydropurin-2-yl)acetamide |
| InChI Key | MXSMRDDXWJSGMC-UHFFFAOYSA-N |
| Molecular Formula | C7H7N5O2 |
Silver trifluoromethanesulfonate, 99+%
CAS: 2923-28-6 Molecular Formula: CAgF3O3S Molecular Weight (g/mol): 256.93 MDL Number: MFCD00013226 InChI Key: QRUBYZBWAOOHSV-UHFFFAOYSA-M Synonym: silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate PubChem CID: 76223 IUPAC Name: silver;trifluoromethanesulfonate SMILES: [Ag+].[O-]S(=O)(=O)C(F)(F)F
| PubChem CID | 76223 |
|---|---|
| CAS | 2923-28-6 |
| Molecular Weight (g/mol) | 256.93 |
| MDL Number | MFCD00013226 |
| SMILES | [Ag+].[O-]S(=O)(=O)C(F)(F)F |
| Synonym | silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate |
| IUPAC Name | silver;trifluoromethanesulfonate |
| InChI Key | QRUBYZBWAOOHSV-UHFFFAOYSA-M |
| Molecular Formula | CAgF3O3S |
Methyl 3,3-dimethoxypropionate, 99%
CAS: 7424-91-1 Molecular Formula: C6H12O4 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00010650 InChI Key: SMCVPMKCDDNUCQ-UHFFFAOYSA-N Synonym: methyl 3,3-dimethoxypropionate,3,3-dimethoxypropionic acid methyl ester,methyl3,3-dimethoxypropionate,propanoic acid, 3,3-dimethoxy-, methyl ester,zlchem 282,pubchem20228,acmc-1bdjk,ksc490c4j,methyl 3,3-dimethoxy-propanoate,smcvpmkcddnucq-uhfffaoysa PubChem CID: 81924 IUPAC Name: methyl 3,3-dimethoxypropanoate SMILES: COC(CC(=O)OC)OC
| PubChem CID | 81924 |
|---|---|
| CAS | 7424-91-1 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00010650 |
| SMILES | COC(CC(=O)OC)OC |
| Synonym | methyl 3,3-dimethoxypropionate,3,3-dimethoxypropionic acid methyl ester,methyl3,3-dimethoxypropionate,propanoic acid, 3,3-dimethoxy-, methyl ester,zlchem 282,pubchem20228,acmc-1bdjk,ksc490c4j,methyl 3,3-dimethoxy-propanoate,smcvpmkcddnucq-uhfffaoysa |
| IUPAC Name | methyl 3,3-dimethoxypropanoate |
| InChI Key | SMCVPMKCDDNUCQ-UHFFFAOYSA-N |
| Molecular Formula | C6H12O4 |
1-Acetylpiperazine, 98%
CAS: 13889-98-0 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.17 MDL Number: MFCD00058676 InChI Key: PKDPUENCROCRCH-UHFFFAOYSA-N Synonym: 1-acetylpiperazine,n-acetylpiperazine,1-piperazin-1-yl ethanone,1-piperazin-1-yl ethan-1-one,n-acetyl piperazine,acetylpiperazine,1-acetyl piperazine,piperazine, 1-acetyl,1-piperazin-1-yl-ethanone,1-piperazin-1-yl ethanon PubChem CID: 83795 IUPAC Name: 1-piperazin-1-ylethanone SMILES: CC(=O)N1CCNCC1
| PubChem CID | 83795 |
|---|---|
| CAS | 13889-98-0 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00058676 |
| SMILES | CC(=O)N1CCNCC1 |
| Synonym | 1-acetylpiperazine,n-acetylpiperazine,1-piperazin-1-yl ethanone,1-piperazin-1-yl ethan-1-one,n-acetyl piperazine,acetylpiperazine,1-acetyl piperazine,piperazine, 1-acetyl,1-piperazin-1-yl-ethanone,1-piperazin-1-yl ethanon |
| IUPAC Name | 1-piperazin-1-ylethanone |
| InChI Key | PKDPUENCROCRCH-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
Methanephosphonic acid, 98%, Thermo Scientific Chemicals
CAS: 993-13-5 Molecular Formula: CH5O3P Molecular Weight (g/mol): 96.02 MDL Number: MFCD00002137 InChI Key: YACKEPLHDIMKIO-UHFFFAOYSA-N Synonym: methanephosphonic acid,phosphonic acid, methyl,methyl phosphonic acid,unii-329w4ym10z,phosphonomethyl group,ester group,phosphonomethyl,acmc-20ake9,d02fxw,methylphosphonic acid PubChem CID: 13818 ChEBI: CHEBI:45129 IUPAC Name: methylphosphonic acid SMILES: CP(O)(O)=O
| PubChem CID | 13818 |
|---|---|
| CAS | 993-13-5 |
| Molecular Weight (g/mol) | 96.02 |
| ChEBI | CHEBI:45129 |
| MDL Number | MFCD00002137 |
| SMILES | CP(O)(O)=O |
| Synonym | methanephosphonic acid,phosphonic acid, methyl,methyl phosphonic acid,unii-329w4ym10z,phosphonomethyl group,ester group,phosphonomethyl,acmc-20ake9,d02fxw,methylphosphonic acid |
| IUPAC Name | methylphosphonic acid |
| InChI Key | YACKEPLHDIMKIO-UHFFFAOYSA-N |
| Molecular Formula | CH5O3P |
1-Pentanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous
CAS: 22767-49-3 Molecular Formula: C5H11NaO3S Molecular Weight (g/mol): 174.19 MDL Number: MFCD00007541,MFCD00149548 InChI Key: ROBLTDOHDSGGDT-UHFFFAOYSA-M Synonym: sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt PubChem CID: 23664617 IUPAC Name: sodium;pentane-1-sulfonate SMILES: [Na+].CCCCCS([O-])(=O)=O
| PubChem CID | 23664617 |
|---|---|
| CAS | 22767-49-3 |
| Molecular Weight (g/mol) | 174.19 |
| MDL Number | MFCD00007541,MFCD00149548 |
| SMILES | [Na+].CCCCCS([O-])(=O)=O |
| Synonym | sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt |
| IUPAC Name | sodium;pentane-1-sulfonate |
| InChI Key | ROBLTDOHDSGGDT-UHFFFAOYSA-M |
| Molecular Formula | C5H11NaO3S |
Methyl (R)-(+)-lactate, 98%
CAS: 17392-83-5 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00004517 InChI Key: LPEKGGXMPWTOCB-UHFFFAOYNA-N Synonym: methyl r-+-lactate,methyl d-lactate,r-methyl 2-hydroxypropanoate,methyl r-lactate,+-methyl d-lactate,methyl 2r-2-hydroxypropanoate,d-lactic acid methyl ester,methyl lactate, +,unii-45mz1t3tbv,r-methyl lactate PubChem CID: 637514 ChEBI: CHEBI:74611 SMILES: COC(=O)C(C)O
| PubChem CID | 637514 |
|---|---|
| CAS | 17392-83-5 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:74611 |
| MDL Number | MFCD00004517 |
| SMILES | COC(=O)C(C)O |
| Synonym | methyl r-+-lactate,methyl d-lactate,r-methyl 2-hydroxypropanoate,methyl r-lactate,+-methyl d-lactate,methyl 2r-2-hydroxypropanoate,d-lactic acid methyl ester,methyl lactate, +,unii-45mz1t3tbv,r-methyl lactate |
| InChI Key | LPEKGGXMPWTOCB-UHFFFAOYNA-N |
| Molecular Formula | C4H8O3 |