Organic acids and derivatives
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1,4-Phenylenediamine-2-sulfonic Acid 98.0+%, TCI America™
CAS: 88-45-9 Molecular Formula: C6H7KN2O3S Molecular Weight (g/mol): 226.29 MDL Number: MFCD00007904 InChI Key: WRFPRPDYXWUOEK-UHFFFAOYSA-M Synonym: benzenesulfonic acid, 2,5-diamino,p-phenylenediaminesulfonic acid,2,5-diaminobenzenesulphonic acid,2,5-diaminobenzene sulfonic acid,2-sulfo-p-phenylenediamine,ccris 2884,1,4-phenylenediamine-2-sulfonic acid,unii-up8112d78n,2,5-diamino benzene sulfonic acid,pubchem13625 PubChem CID: 66617 IUPAC Name: potassium 2,5-diaminobenzene-1-sulfonate SMILES: [K+].NC1=CC=C(N)C(=C1)S([O-])(=O)=O
| PubChem CID | 66617 |
|---|---|
| CAS | 88-45-9 |
| Molecular Weight (g/mol) | 226.29 |
| MDL Number | MFCD00007904 |
| SMILES | [K+].NC1=CC=C(N)C(=C1)S([O-])(=O)=O |
| Synonym | benzenesulfonic acid, 2,5-diamino,p-phenylenediaminesulfonic acid,2,5-diaminobenzenesulphonic acid,2,5-diaminobenzene sulfonic acid,2-sulfo-p-phenylenediamine,ccris 2884,1,4-phenylenediamine-2-sulfonic acid,unii-up8112d78n,2,5-diamino benzene sulfonic acid,pubchem13625 |
| IUPAC Name | potassium 2,5-diaminobenzene-1-sulfonate |
| InChI Key | WRFPRPDYXWUOEK-UHFFFAOYSA-M |
| Molecular Formula | C6H7KN2O3S |
Pyrrole-2-carboxylic Acid 98.0+%, TCI America™
CAS: 634-97-9 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O
| PubChem CID | 12473 |
|---|---|
| CAS | 634-97-9 |
| Molecular Weight (g/mol) | 111.1 |
| ChEBI | CHEBI:36751 |
| MDL Number | MFCD00005219 |
| SMILES | C1=CNC(=C1)C(=O)O |
| Synonym | pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc |
| IUPAC Name | 1H-pyrrole-2-carboxylic acid |
| InChI Key | WRHZVMBBRYBTKZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
Methyl m-Toluate 98.0+%, TCI America™
CAS: 99-36-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008436 InChI Key: CPXCDEMFNPKOEF-UHFFFAOYSA-N Synonym: methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester PubChem CID: 7435 IUPAC Name: methyl 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC
| PubChem CID | 7435 |
|---|---|
| CAS | 99-36-5 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008436 |
| SMILES | CC1=CC=CC(=C1)C(=O)OC |
| Synonym | methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester |
| IUPAC Name | methyl 3-methylbenzoate |
| InChI Key | CPXCDEMFNPKOEF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Pentyl Valerate 98.0+%, TCI America™
CAS: 2173-56-0 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00042904 InChI Key: FGPPDYNPZTUNIU-UHFFFAOYSA-N Synonym: pentyl valerate,amyl valerate,pentanoic acid, pentyl ester,n-pentyl valerate,amyl valerianate,valeric acid, pentyl ester,1-pentyl n-valerate,valeric acid pentyl ester,pentanoicacid, pentyl ester,pentanoic acid pentyl ester PubChem CID: 62433 IUPAC Name: pentyl pentanoate SMILES: CCCCCOC(=O)CCCC
| PubChem CID | 62433 |
|---|---|
| CAS | 2173-56-0 |
| Molecular Weight (g/mol) | 172.27 |
| MDL Number | MFCD00042904 |
| SMILES | CCCCCOC(=O)CCCC |
| Synonym | pentyl valerate,amyl valerate,pentanoic acid, pentyl ester,n-pentyl valerate,amyl valerianate,valeric acid, pentyl ester,1-pentyl n-valerate,valeric acid pentyl ester,pentanoicacid, pentyl ester,pentanoic acid pentyl ester |
| IUPAC Name | pentyl pentanoate |
| InChI Key | FGPPDYNPZTUNIU-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
S-Propyl Thioacetate 98.0+%, TCI America™
CAS: 2307-10-0 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD00039937 InChI Key: SBWFWBJCYMBZEY-UHFFFAOYSA-N Synonym: s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385 PubChem CID: 61295 IUPAC Name: 1-(propylsulfanyl)ethan-1-one SMILES: CCCSC(C)=O
| PubChem CID | 61295 |
|---|---|
| CAS | 2307-10-0 |
| Molecular Weight (g/mol) | 118.19 |
| MDL Number | MFCD00039937 |
| SMILES | CCCSC(C)=O |
| Synonym | s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385 |
| IUPAC Name | 1-(propylsulfanyl)ethan-1-one |
| InChI Key | SBWFWBJCYMBZEY-UHFFFAOYSA-N |
| Molecular Formula | C5H10OS |
S-Methyl Thioacetate 95.0+%, TCI America™
CAS: 1534-08-3 Molecular Formula: C3H6OS Molecular Weight (g/mol): 90.14 MDL Number: MFCD00014989 InChI Key: OATSQCXMYKYFQO-UHFFFAOYSA-N Synonym: s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester PubChem CID: 73750 ChEBI: CHEBI:51280 IUPAC Name: S-methyl ethanethioate SMILES: CC(=O)SC
| PubChem CID | 73750 |
|---|---|
| CAS | 1534-08-3 |
| Molecular Weight (g/mol) | 90.14 |
| ChEBI | CHEBI:51280 |
| MDL Number | MFCD00014989 |
| SMILES | CC(=O)SC |
| Synonym | s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester |
| IUPAC Name | S-methyl ethanethioate |
| InChI Key | OATSQCXMYKYFQO-UHFFFAOYSA-N |
| Molecular Formula | C3H6OS |
N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic Acid 98.0+%, TCI America™
CAS: 7365-44-8 Molecular Formula: C6H15NO6S Molecular Weight (g/mol): 229.247 MDL Number: MFCD00007532 InChI Key: JOCBASBOOFNAJA-UHFFFAOYSA-N Synonym: tes,n-tris hydroxymethyl methyl-2-aminoethanesulfonic acid,tes buffer,tes free acid,ethanesulfonic acid, 2-2-hydroxy-1,1-bis hydroxymethyl ethyl amino,2-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino ethanesulfonic acid,2-2-hydroxy-1,1-dihydroxymethyl-ethylamino-ethanesulfonic acid,tris hydroxymethyl methyl-2-aminomethane sulfonic acid,2-tris hydroxymethyl methylamino ethane-1-sulphonic acid,n-tri hydroxymethyl methyltaurine PubChem CID: 81831 ChEBI: CHEBI:44356 IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid SMILES: C(CS(=O)(=O)O)NC(CO)(CO)CO
| PubChem CID | 81831 |
|---|---|
| CAS | 7365-44-8 |
| Molecular Weight (g/mol) | 229.247 |
| ChEBI | CHEBI:44356 |
| MDL Number | MFCD00007532 |
| SMILES | C(CS(=O)(=O)O)NC(CO)(CO)CO |
| Synonym | tes,n-tris hydroxymethyl methyl-2-aminoethanesulfonic acid,tes buffer,tes free acid,ethanesulfonic acid, 2-2-hydroxy-1,1-bis hydroxymethyl ethyl amino,2-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino ethanesulfonic acid,2-2-hydroxy-1,1-dihydroxymethyl-ethylamino-ethanesulfonic acid,tris hydroxymethyl methyl-2-aminomethane sulfonic acid,2-tris hydroxymethyl methylamino ethane-1-sulphonic acid,n-tri hydroxymethyl methyltaurine |
| IUPAC Name | 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid |
| InChI Key | JOCBASBOOFNAJA-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO6S |
Diphenyl Phosphate 99.0+%, TCI America™
CAS: 838-85-7 Molecular Formula: C12H11O4P Molecular Weight (g/mol): 250.19 MDL Number: MFCD00003033 InChI Key: ASMQGLCHMVWBQR-UHFFFAOYSA-N Synonym: diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 PubChem CID: 13282 IUPAC Name: diphenoxyphosphinic acid SMILES: OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 13282 |
|---|---|
| CAS | 838-85-7 |
| Molecular Weight (g/mol) | 250.19 |
| MDL Number | MFCD00003033 |
| SMILES | OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 |
| IUPAC Name | diphenoxyphosphinic acid |
| InChI Key | ASMQGLCHMVWBQR-UHFFFAOYSA-N |
| Molecular Formula | C12H11O4P |
DL-Tropic Acid 98.0+%, TCI America™
CAS: 552-63-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004255 InChI Key: JACRWUWPXAESPB-UHFFFAOYNA-N Synonym: tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid PubChem CID: 10726 ChEBI: CHEBI:30765 IUPAC Name: 3-hydroxy-2-phenylpropanoic acid SMILES: OCC(C(O)=O)C1=CC=CC=C1
| PubChem CID | 10726 |
|---|---|
| CAS | 552-63-6 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:30765 |
| MDL Number | MFCD00004255 |
| SMILES | OCC(C(O)=O)C1=CC=CC=C1 |
| Synonym | tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid |
| IUPAC Name | 3-hydroxy-2-phenylpropanoic acid |
| InChI Key | JACRWUWPXAESPB-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
Pifithrin-mu 98.0+%, TCI America™
CAS: 64984-31-2 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.209 MDL Number: MFCD00181531 InChI Key: ZZUZYEMRHCMVTB-UHFFFAOYSA-N Synonym: pifithrin-mu,pifithrin-,i,2-phenylacetylenesulfonamide,phenylethynesulfonamide,phenylacetylenylsulfonamide,2-phenylethyne-1-sulfonamide,pifithrin mu,pftmu,pifithrin-micro,pifithrin-u PubChem CID: 327653 IUPAC Name: 2-phenylethynesulfonamide SMILES: C1=CC=C(C=C1)C#CS(=O)(=O)N
| PubChem CID | 327653 |
|---|---|
| CAS | 64984-31-2 |
| Molecular Weight (g/mol) | 181.209 |
| MDL Number | MFCD00181531 |
| SMILES | C1=CC=C(C=C1)C#CS(=O)(=O)N |
| Synonym | pifithrin-mu,pifithrin-,i,2-phenylacetylenesulfonamide,phenylethynesulfonamide,phenylacetylenylsulfonamide,2-phenylethyne-1-sulfonamide,pifithrin mu,pftmu,pifithrin-micro,pifithrin-u |
| IUPAC Name | 2-phenylethynesulfonamide |
| InChI Key | ZZUZYEMRHCMVTB-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2S |
1-Formylpiperazine 98.0+%, TCI America™
CAS: 7755-92-2 Molecular Formula: C5H11N2O Molecular Weight (g/mol): 115.16 MDL Number: MFCD00005963 InChI Key: MSSDTZLYNMFTKN-UHFFFAOYSA-O Synonym: 1-formylpiperazine,1-piperazinecarboxaldehyde,1-piperazinecarbaldehyde,formylpiperazine,n-formylpiperazine,1-formyl piperazine,piperazinecarbaldehyde,l-formylpiperazine,4-formylpiperazine,n-formyl piperazine PubChem CID: 82191 IUPAC Name: 4-formylpiperazin-1-ium SMILES: O=CN1CC[NH2+]CC1
| PubChem CID | 82191 |
|---|---|
| CAS | 7755-92-2 |
| Molecular Weight (g/mol) | 115.16 |
| MDL Number | MFCD00005963 |
| SMILES | O=CN1CC[NH2+]CC1 |
| Synonym | 1-formylpiperazine,1-piperazinecarboxaldehyde,1-piperazinecarbaldehyde,formylpiperazine,n-formylpiperazine,1-formyl piperazine,piperazinecarbaldehyde,l-formylpiperazine,4-formylpiperazine,n-formyl piperazine |
| IUPAC Name | 4-formylpiperazin-1-ium |
| InChI Key | MSSDTZLYNMFTKN-UHFFFAOYSA-O |
| Molecular Formula | C5H11N2O |
Methyl Formate 95.0+%, TCI America™
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Triethyl 2-Fluoro-2-phosphonoacetate 95.0+%, TCI America™
CAS: 2356-16-3 Molecular Formula: C8H16FO5P Molecular Weight (g/mol): 242.183 MDL Number: MFCD00134400 InChI Key: FVPISMANESAJQZ-UHFFFAOYSA-N Synonym: triethyl 2-fluoro-2-phosphonoacetate,2-fluoro-2-phosphonoacetic acid triethyl ester,ethyl 2-diethoxyphosphoryl-2-fluoroacetate,triethyl phosphonofluoroacetate,ethyl diethoxyphosphoryl fluoro acetate,triethyl-2-fluoro-2-phosphonoacetate,acetic acid, diethoxyphosphinyl fluoro-, ethyl ester,2-fluoro-2-phosphonoacetic acidtriethylester,diethyl ethoxycarbonyl fluoromethyl phosphonate,diethoxyphosphinyl fluoroacetic acid ethyl ester PubChem CID: 2734865 IUPAC Name: ethyl 2-diethoxyphosphoryl-2-fluoroacetate SMILES: CCOC(=O)C(F)P(=O)(OCC)OCC
| PubChem CID | 2734865 |
|---|---|
| CAS | 2356-16-3 |
| Molecular Weight (g/mol) | 242.183 |
| MDL Number | MFCD00134400 |
| SMILES | CCOC(=O)C(F)P(=O)(OCC)OCC |
| Synonym | triethyl 2-fluoro-2-phosphonoacetate,2-fluoro-2-phosphonoacetic acid triethyl ester,ethyl 2-diethoxyphosphoryl-2-fluoroacetate,triethyl phosphonofluoroacetate,ethyl diethoxyphosphoryl fluoro acetate,triethyl-2-fluoro-2-phosphonoacetate,acetic acid, diethoxyphosphinyl fluoro-, ethyl ester,2-fluoro-2-phosphonoacetic acidtriethylester,diethyl ethoxycarbonyl fluoromethyl phosphonate,diethoxyphosphinyl fluoroacetic acid ethyl ester |
| IUPAC Name | ethyl 2-diethoxyphosphoryl-2-fluoroacetate |
| InChI Key | FVPISMANESAJQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16FO5P |
(-)-Epicatechin Gallate 98.0+%, TCI America™
CAS: 1257-08-5 Molecular Formula: C22H18O10 Molecular Weight (g/mol): 442.376 MDL Number: MFCD00075936 InChI Key: LSHVYAFMTMFKBA-TZIWHRDSSA-N Synonym: =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate PubChem CID: 107905 ChEBI: CHEBI:70255 IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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)OC(=O)C4=CC(=C(C(=C4)O)O)O
| PubChem CID | 107905 |
|---|---|
| CAS | 1257-08-5 |
| Molecular Weight (g/mol) | 442.376 |
| ChEBI | CHEBI:70255 |
| MDL Number | MFCD00075936 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| Synonym | =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChI Key | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
| Molecular Formula | C22H18O10 |
Butyl Gallate 98.0+%, TCI America™
CAS: 1083-41-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00016432 InChI Key: XOPOEBVTQYAOSV-UHFFFAOYSA-N Synonym: Gallic Acid Butyl Ester PubChem CID: 14128 IUPAC Name: butyl 3,4,5-trihydroxybenzoate SMILES: CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 14128 |
|---|---|
| CAS | 1083-41-6 |
| Molecular Weight (g/mol) | 226.228 |
| MDL Number | MFCD00016432 |
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | Gallic Acid Butyl Ester |
| IUPAC Name | butyl 3,4,5-trihydroxybenzoate |
| InChI Key | XOPOEBVTQYAOSV-UHFFFAOYSA-N |
| Molecular Formula | C11H14O5 |