Carboxylic acids and derivatives
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Ethyl L(-)-lactate, 97%
CAS: 687-47-8 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00004518 InChI Key: LZCLXQDLBQLTDK-BYPYZUCNSA-N Synonym: ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s PubChem CID: 92831 ChEBI: CHEBI:78322 IUPAC Name: ethyl (2S)-2-hydroxypropanoate SMILES: CCOC(=O)C(C)O
| PubChem CID | 92831 |
|---|---|
| CAS | 687-47-8 |
| Molecular Weight (g/mol) | 118.13 |
| ChEBI | CHEBI:78322 |
| MDL Number | MFCD00004518 |
| SMILES | CCOC(=O)C(C)O |
| Synonym | ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s |
| IUPAC Name | ethyl (2S)-2-hydroxypropanoate |
| InChI Key | LZCLXQDLBQLTDK-BYPYZUCNSA-N |
| Molecular Formula | C5H10O3 |
3-Indoxyl acetate, 97%
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
| PubChem CID | 11841 |
|---|---|
| CAS | 608-08-2 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00014561 |
| SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
| Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
| IUPAC Name | 1H-indol-3-yl acetate |
| InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Methyl mercaptoacetate, 95%
CAS: 2365-48-2 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004873 InChI Key: MKIJJIMOAABWGF-UHFFFAOYSA-N Synonym: methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el PubChem CID: 16907 IUPAC Name: methyl 2-sulfanylacetate SMILES: COC(=O)CS
| PubChem CID | 16907 |
|---|---|
| CAS | 2365-48-2 |
| Molecular Weight (g/mol) | 106.14 |
| MDL Number | MFCD00004873 |
| SMILES | COC(=O)CS |
| Synonym | methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el |
| IUPAC Name | methyl 2-sulfanylacetate |
| InChI Key | MKIJJIMOAABWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2S |
Ethyl levulinate, 98%
CAS: 539-88-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009209 InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N Synonym: ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate PubChem CID: 10883 IUPAC Name: ethyl 4-oxopentanoate SMILES: CCOC(=O)CCC(C)=O
| PubChem CID | 10883 |
|---|---|
| CAS | 539-88-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009209 |
| SMILES | CCOC(=O)CCC(C)=O |
| Synonym | ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate |
| IUPAC Name | ethyl 4-oxopentanoate |
| InChI Key | GMEONFUTDYJSNV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
trans-Ethyl crotonate, 96%
CAS: 623-70-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009289 InChI Key: ZFDIRQKJPRINOQ-HWKANZROSA-N Synonym: ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e PubChem CID: 429065 IUPAC Name: ethyl (E)-but-2-enoate SMILES: CCOC(=O)\C=C\C
| PubChem CID | 429065 |
|---|---|
| CAS | 623-70-1 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00009289 |
| SMILES | CCOC(=O)\C=C\C |
| Synonym | ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e |
| IUPAC Name | ethyl (E)-but-2-enoate |
| InChI Key | ZFDIRQKJPRINOQ-HWKANZROSA-N |
| Molecular Formula | C6H10O2 |
Propionic acid, 99%
CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00002756 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O
| PubChem CID | 1032 |
|---|---|
| CAS | 79-09-4 |
| Molecular Weight (g/mol) | 74.079 |
| ChEBI | CHEBI:30768 |
| MDL Number | MFCD00002756 |
| SMILES | CCC(=O)O |
| Synonym | propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin |
| IUPAC Name | propanoic acid |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Dimethyl phthalate, 99%
CAS: 131-11-3 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008425 InChI Key: NIQCNGHVCWTJSM-UHFFFAOYSA-N Synonym: dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm PubChem CID: 8554 ChEBI: CHEBI:4609 SMILES: COC(=O)C1=CC=CC=C1C(=O)OC
| PubChem CID | 8554 |
|---|---|
| CAS | 131-11-3 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:4609 |
| MDL Number | MFCD00008425 |
| SMILES | COC(=O)C1=CC=CC=C1C(=O)OC |
| Synonym | dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm |
| InChI Key | NIQCNGHVCWTJSM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Acetazolamide, 99%
CAS: 59-66-5 Molecular Formula: C4H6N4O3S2 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00003105 InChI Key: BZKPWHYZMXOIDC-UHFFFAOYSA-N Synonym: acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran PubChem CID: 1986 ChEBI: CHEBI:27690 IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide SMILES: CC(=O)NC1=NN=C(S1)S(N)(=O)=O
| PubChem CID | 1986 |
|---|---|
| CAS | 59-66-5 |
| Molecular Weight (g/mol) | 222.24 |
| ChEBI | CHEBI:27690 |
| MDL Number | MFCD00003105 |
| SMILES | CC(=O)NC1=NN=C(S1)S(N)(=O)=O |
| Synonym | acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran |
| IUPAC Name | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
| InChI Key | BZKPWHYZMXOIDC-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O3S2 |
Benzohydroxamic Acid 98.0+%, TCI America™
CAS: 495-18-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00002109 InChI Key: VDEUYMSGMPQMIK-UHFFFAOYSA-N Synonym: benzohydroxamic acid,benzhydroxamic acid,benzamide, n-hydroxy,benzohydroxamate,phenylhydroxamic acid,benzohyroxamate,hydroxylamine, n-benzoyl,benzoylhydroxamic acid,n-hydroxy-benzamide,benzenecarbohydroxamic acid PubChem CID: 10313 IUPAC Name: N-hydroxybenzamide SMILES: C1=CC=C(C=C1)C(=O)NO
| PubChem CID | 10313 |
|---|---|
| CAS | 495-18-1 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00002109 |
| SMILES | C1=CC=C(C=C1)C(=O)NO |
| Synonym | benzohydroxamic acid,benzhydroxamic acid,benzamide, n-hydroxy,benzohydroxamate,phenylhydroxamic acid,benzohyroxamate,hydroxylamine, n-benzoyl,benzoylhydroxamic acid,n-hydroxy-benzamide,benzenecarbohydroxamic acid |
| IUPAC Name | N-hydroxybenzamide |
| InChI Key | VDEUYMSGMPQMIK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
trans-1,2-Cyclohexanediaminetetraacetic Acid Monohydrate 99.0+%, TCI America™
CAS: 125572-95-4 Molecular Formula: C14H20N2O8 Molecular Weight (g/mol): 344.32 MDL Number: MFCD00149243,MFCD00066429,MFCD00003845 InChI Key: FCKYPQBAHLOOJQ-NXEZZACHSA-L Synonym: 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd PubChem CID: 2723844 IUPAC Name: 2-{[(1R,2R)-2-[bis(carboxylatomethyl)azaniumyl]cyclohexyl](carboxylatomethyl)azaniumyl}acetate SMILES: [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O
| PubChem CID | 2723844 |
|---|---|
| CAS | 125572-95-4 |
| Molecular Weight (g/mol) | 344.32 |
| MDL Number | MFCD00149243,MFCD00066429,MFCD00003845 |
| SMILES | [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O |
| Synonym | 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd |
| IUPAC Name | 2-{[(1R,2R)-2-[bis(carboxylatomethyl)azaniumyl]cyclohexyl](carboxylatomethyl)azaniumyl}acetate |
| InChI Key | FCKYPQBAHLOOJQ-NXEZZACHSA-L |
| Molecular Formula | C14H20N2O8 |
Cyclopropanecarboxylic Acid 98.0+%, TCI America™
CAS: 1759-53-1 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00001287 InChI Key: YMGUBTXCNDTFJI-UHFFFAOYSA-N Synonym: carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid PubChem CID: 15655 ChEBI: CHEBI:23500 IUPAC Name: cyclopropanecarboxylic acid SMILES: C1CC1C(=O)O
| PubChem CID | 15655 |
|---|---|
| CAS | 1759-53-1 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:23500 |
| MDL Number | MFCD00001287 |
| SMILES | C1CC1C(=O)O |
| Synonym | carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid |
| IUPAC Name | cyclopropanecarboxylic acid |
| InChI Key | YMGUBTXCNDTFJI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
Ethylene Glycol Bis(2-aminoethyl Ether)-N,N,N',N'-tetraacetic Acid 96.0+%, TCI America™
CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 MDL Number: MFCD00004291 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
| PubChem CID | 6207 |
|---|---|
| CAS | 67-42-5 |
| Molecular Weight (g/mol) | 380.35 |
| ChEBI | CHEBI:30740 |
| MDL Number | MFCD00004291 |
| SMILES | C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| Synonym | egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn |
| IUPAC Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid |
| InChI Key | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| Molecular Formula | C14H24N2O10 |
Tamoxifen Citrate 98.0+%, TCI America™
CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733525 |
|---|---|
| CAS | 54965-24-1 |
| Molecular Weight (g/mol) | 563.65 |
| ChEBI | CHEBI:9397 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |
Methyl 3-Mercaptopropionate 98.0+%, TCI America™
CAS: 2935-90-2 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004895 InChI Key: LDTLDBDUBGAEDT-UHFFFAOYSA-N Synonym: methyl 3-mercaptopropionate,propanoic acid, 3-mercapto-, methyl ester,3-mercaptopropionic acid methyl ester,methyl mercaptopropionate,methyl3-mercaptopropionate,methyl 3-mercaptopropanoate,propionic acid, 3-mercapto-, methyl ester,unii-v920f0bcrz,methyl-3-mercaptopropionate,v920f0bcrz PubChem CID: 18050 IUPAC Name: methyl 3-sulfanylpropanoate SMILES: COC(=O)CCS
| PubChem CID | 18050 |
|---|---|
| CAS | 2935-90-2 |
| Molecular Weight (g/mol) | 120.166 |
| MDL Number | MFCD00004895 |
| SMILES | COC(=O)CCS |
| Synonym | methyl 3-mercaptopropionate,propanoic acid, 3-mercapto-, methyl ester,3-mercaptopropionic acid methyl ester,methyl mercaptopropionate,methyl3-mercaptopropionate,methyl 3-mercaptopropanoate,propionic acid, 3-mercapto-, methyl ester,unii-v920f0bcrz,methyl-3-mercaptopropionate,v920f0bcrz |
| IUPAC Name | methyl 3-sulfanylpropanoate |
| InChI Key | LDTLDBDUBGAEDT-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |
Iohexol (mixture of isomers) 98.0+%, TCI America™
CAS: 66108-95-0 Molecular Formula: C19H26I3N3O9 Molecular Weight (g/mol): 821.142 MDL Number: MFCD00077732 InChI Key: NTHXOOBQLCIOLC-UHFFFAOYSA-N PubChem CID: 3730 ChEBI: CHEBI:31709 IUPAC Name: 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
| PubChem CID | 3730 |
|---|---|
| CAS | 66108-95-0 |
| Molecular Weight (g/mol) | 821.142 |
| ChEBI | CHEBI:31709 |
| MDL Number | MFCD00077732 |
| SMILES | CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| IUPAC Name | 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide |
| InChI Key | NTHXOOBQLCIOLC-UHFFFAOYSA-N |
| Molecular Formula | C19H26I3N3O9 |