Organic acids and derivatives
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cis-3-Hexenyl acetate, 98+%
CAS: 3681-71-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00036563 InChI Key: NPFVOOAXDOBMCE-PLNGDYQASA-N Synonym: cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate PubChem CID: 5363388 ChEBI: CHEBI:61316 IUPAC Name: [(Z)-hex-3-enyl] acetate SMILES: CCC=CCCOC(=O)C
| PubChem CID | 5363388 |
|---|---|
| CAS | 3681-71-8 |
| Molecular Weight (g/mol) | 142.198 |
| ChEBI | CHEBI:61316 |
| MDL Number | MFCD00036563 |
| SMILES | CCC=CCCOC(=O)C |
| Synonym | cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate |
| IUPAC Name | [(Z)-hex-3-enyl] acetate |
| InChI Key | NPFVOOAXDOBMCE-PLNGDYQASA-N |
| Molecular Formula | C8H14O2 |
4-Methoxybenzeneboronic acid, 97+%
CAS: 5720-07-0 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00039139 InChI Key: VOAAEKKFGLPLLU-UHFFFAOYSA-N Synonym: 4-methoxyphenyl boronic acid,4-methoxybenzeneboronic acid,p-anisylboronic acid,p-methoxyphenylboronic acid,p-methoxybenzeneboronic acid,4-methoxyphenyl boranediol,benzeneboronic acid, p-methoxy,4-boronoanisole,4-methoxyphenylboronicacid PubChem CID: 201262 IUPAC Name: (4-methoxyphenyl)boronic acid SMILES: COC1=CC=C(C=C1)B(O)O
| PubChem CID | 201262 |
|---|---|
| CAS | 5720-07-0 |
| Molecular Weight (g/mol) | 151.96 |
| MDL Number | MFCD00039139 |
| SMILES | COC1=CC=C(C=C1)B(O)O |
| Synonym | 4-methoxyphenyl boronic acid,4-methoxybenzeneboronic acid,p-anisylboronic acid,p-methoxyphenylboronic acid,p-methoxybenzeneboronic acid,4-methoxyphenyl boranediol,benzeneboronic acid, p-methoxy,4-boronoanisole,4-methoxyphenylboronicacid |
| IUPAC Name | (4-methoxyphenyl)boronic acid |
| InChI Key | VOAAEKKFGLPLLU-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
Spectrum Chemical Manufacturing Corporation Methyl Benzoate, 98%, Spectrum™ Chemical
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CAS: 93-58-3
| CAS | 93-58-3 |
|---|
2-Propylpentanoic acid, sodium salt, 98%
CAS: 1069-66-5 MDL Number: MFCD00078604 InChI Key: AEQFSUDEHCCHBT-UHFFFAOYSA-M Synonym: sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin PubChem CID: 16760703 ChEBI: CHEBI:9925 IUPAC Name: sodium;2-propylpentanoate SMILES: CCCC(CCC)C(=O)[O-].[Na+]
| PubChem CID | 16760703 |
|---|---|
| CAS | 1069-66-5 |
| ChEBI | CHEBI:9925 |
| MDL Number | MFCD00078604 |
| SMILES | CCCC(CCC)C(=O)[O-].[Na+] |
| Synonym | sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin |
| IUPAC Name | sodium;2-propylpentanoate |
| InChI Key | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
Aminoguanidine hydrogen carbonate, 98+%
CAS: 2582-30-1 Molecular Formula: C2H8N4O3 Molecular Weight (g/mol): 136.111 MDL Number: MFCD00012949 InChI Key: OTXHZHQQWQTQMW-UHFFFAOYSA-N Synonym: aminoguanidine bicarbonate,aminoguanidine hydrogen carbonate,aminoguanidinium bicarbonate,aminoguanidine hydrocarbonate,aminoguanidine carbonate 1:1,aminoguanidium hydrogen carbonate,n1-aminoguanidine carbonate 1:1,aminoguanidine hydrogencarbonate,aminoguanidinebicarbonate,hydrazinecarboximidamide carbonate PubChem CID: 164944 IUPAC Name: 2-aminoguanidine;carbonic acid SMILES: C(=NN)(N)N.C(=O)(O)O
| PubChem CID | 164944 |
|---|---|
| CAS | 2582-30-1 |
| Molecular Weight (g/mol) | 136.111 |
| MDL Number | MFCD00012949 |
| SMILES | C(=NN)(N)N.C(=O)(O)O |
| Synonym | aminoguanidine bicarbonate,aminoguanidine hydrogen carbonate,aminoguanidinium bicarbonate,aminoguanidine hydrocarbonate,aminoguanidine carbonate 1:1,aminoguanidium hydrogen carbonate,n1-aminoguanidine carbonate 1:1,aminoguanidine hydrogencarbonate,aminoguanidinebicarbonate,hydrazinecarboximidamide carbonate |
| IUPAC Name | 2-aminoguanidine;carbonic acid |
| InChI Key | OTXHZHQQWQTQMW-UHFFFAOYSA-N |
| Molecular Formula | C2H8N4O3 |
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
| PubChem CID | 78365 |
|---|---|
| CAS | 4630-80-2 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00019290 |
| SMILES | COC(=O)C1CCCC1 |
| Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
| IUPAC Name | methyl cyclopentanecarboxylate |
| InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
5-Methylindole-2-carboxylic acid, 99%
CAS: 10241-97-1 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00047166 InChI Key: DAITVOCMWPNFTL-UHFFFAOYSA-N Synonym: 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,# PubChem CID: 259188 IUPAC Name: 5-methyl-1H-indole-2-carboxylic acid SMILES: CC1=CC=C2NC(=CC2=C1)C(O)=O
| PubChem CID | 259188 |
|---|---|
| CAS | 10241-97-1 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00047166 |
| SMILES | CC1=CC=C2NC(=CC2=C1)C(O)=O |
| Synonym | 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,# |
| IUPAC Name | 5-methyl-1H-indole-2-carboxylic acid |
| InChI Key | DAITVOCMWPNFTL-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
LiChropur™ Sodium octyl sulfate , ≥99.0% (T), MilliporeSigma™ Supelco™
MDL Number: MFCD00007470 Synonym: Octyl sulfate sodium salt
| MDL Number | MFCD00007470 |
|---|---|
| Synonym | Octyl sulfate sodium salt |
Cromolyn sodium salt, 98%
CAS: 15826-37-6 Molecular Formula: C23H14Na2O11 Molecular Weight (g/mol): 512.33 MDL Number: MFCD00057744 InChI Key: VLARUOGDXDTHEH-UHFFFAOYSA-L Synonym: cromolyn sodium,sodium cromoglycate,disodium cromoglycate,sodium cromoglicate,sodium cromolyn,gastrocrom,nasalcrom,cromoglycate disodium,natrium cromoglicat,lomudal PubChem CID: 27503 ChEBI: CHEBI:128458 SMILES: [Na+].[Na+].OC(COC1=C2C(=O)C=C(OC2=CC=C1)C([O-])=O)COC1=C2C(=O)C=C(OC2=CC=C1)C([O-])=O
| PubChem CID | 27503 |
|---|---|
| CAS | 15826-37-6 |
| Molecular Weight (g/mol) | 512.33 |
| ChEBI | CHEBI:128458 |
| MDL Number | MFCD00057744 |
| SMILES | [Na+].[Na+].OC(COC1=C2C(=O)C=C(OC2=CC=C1)C([O-])=O)COC1=C2C(=O)C=C(OC2=CC=C1)C([O-])=O |
| Synonym | cromolyn sodium,sodium cromoglycate,disodium cromoglycate,sodium cromoglicate,sodium cromolyn,gastrocrom,nasalcrom,cromoglycate disodium,natrium cromoglicat,lomudal |
| InChI Key | VLARUOGDXDTHEH-UHFFFAOYSA-L |
| Molecular Formula | C23H14Na2O11 |
MilliporeSigma™ Dihydrorhodamine 123, Calbiochem™,
CAS: 109244-58-8 Molecular Formula: C21H18N2O3 Molecular Weight (g/mol): 346.39 MDL Number: MFCD04221428 InChI Key: FNEZBBILNYNQGC-UHFFFAOYSA-N Synonym: dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123 PubChem CID: 105032 IUPAC Name: methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate SMILES: COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12
| PubChem CID | 105032 |
|---|---|
| CAS | 109244-58-8 |
| Molecular Weight (g/mol) | 346.39 |
| MDL Number | MFCD04221428 |
| SMILES | COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12 |
| Synonym | dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123 |
| IUPAC Name | methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate |
| InChI Key | FNEZBBILNYNQGC-UHFFFAOYSA-N |
| Molecular Formula | C21H18N2O3 |
Pyridoxal-5-Phosphate Monohydrate, Approx. 98%, MP Biomedicals™
CAS: 41468-25-1 Molecular Formula: C8H10NO6P Molecular Weight (g/mol): 247.14 MDL Number: MFCD00006333 InChI Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N Synonym: 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate PubChem CID: 38882 IUPAC Name: [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
| PubChem CID | 38882 |
|---|---|
| CAS | 41468-25-1 |
| Molecular Weight (g/mol) | 247.14 |
| MDL Number | MFCD00006333 |
| SMILES | CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O |
| Synonym | 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate |
| IUPAC Name | [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid |
| InChI Key | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
| Molecular Formula | C8H10NO6P |
Ethylenediamine Tetraacetic Acid, ACS, MP Biomedicals™
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 6049 |
|---|---|
| CAS | 60-00-4 |
| Molecular Weight (g/mol) | 292.24 |
| ChEBI | CHEBI:42191 |
| MDL Number | MFCD00003541 |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
| Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
| IUPAC Name | 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
Hydroxyurea, (Crystalline),MP Biomedicals
CAS: 127-07-1 Molecular Formula: CH4N2O2 Molecular Weight (g/mol): 76.055 InChI Key: VSNHCAURESNICA-UHFFFAOYSA-N Synonym: hydroxycarbamide,n-hydroxyurea,hydrea,1-hydroxyurea,oxyurea,carbamoyl oxime,biosupressin,hydroxycarbamine,onco-carbide,carbamohydroxamic acid PubChem CID: 3657 ChEBI: CHEBI:44423 IUPAC Name: hydroxyurea SMILES: C(=O)(N)NO
| PubChem CID | 3657 |
|---|---|
| CAS | 127-07-1 |
| Molecular Weight (g/mol) | 76.055 |
| ChEBI | CHEBI:44423 |
| SMILES | C(=O)(N)NO |
| Synonym | hydroxycarbamide,n-hydroxyurea,hydrea,1-hydroxyurea,oxyurea,carbamoyl oxime,biosupressin,hydroxycarbamine,onco-carbide,carbamohydroxamic acid |
| IUPAC Name | hydroxyurea |
| InChI Key | VSNHCAURESNICA-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O2 |
Dioctyl sulfosuccinate sodium salt, ∽99%, MP Biomedicals™
CAS: 577-11-7 Molecular Formula: C20H37NaO7S Molecular Weight (g/mol): 444.56 MDL Number: MFCD00012455 InChI Key: APSBXTVYXVQYAB-UHFFFAOYNA-M Synonym: docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin PubChem CID: 23673837 IUPAC Name: sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate SMILES: [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
| PubChem CID | 23673837 |
|---|---|
| CAS | 577-11-7 |
| Molecular Weight (g/mol) | 444.56 |
| MDL Number | MFCD00012455 |
| SMILES | [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O |
| Synonym | docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin |
| IUPAC Name | sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate |
| InChI Key | APSBXTVYXVQYAB-UHFFFAOYNA-M |
| Molecular Formula | C20H37NaO7S |
Ethyl-m-Aminobenzoate, methanesulfonate salt, MP Biomedicals™
CAS: 886-86-2 Molecular Formula: C10H15NO5S Molecular Weight (g/mol): 261.292 MDL Number: MFCD00013176 InChI Key: FQZJYWMRQDKBQN-UHFFFAOYSA-N Synonym: ethyl 3-aminobenzoate methanesulfonate,tricaine,tricaine methanesulfonate,finquel,metacaine,tricaine mesylate,3-aminobenzoic acid ethyl ester methanesulfonate,ethyl m-aminobenzoate methanesulfonate,ethyl 3-aminobenzoate methanesulfonic acid salt,3-aminobenzoic acid ethyl ester methanesulfonate salt PubChem CID: 261501 IUPAC Name: ethyl 3-aminobenzoate;methanesulfonic acid SMILES: CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O
| PubChem CID | 261501 |
|---|---|
| CAS | 886-86-2 |
| Molecular Weight (g/mol) | 261.292 |
| MDL Number | MFCD00013176 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O |
| Synonym | ethyl 3-aminobenzoate methanesulfonate,tricaine,tricaine methanesulfonate,finquel,metacaine,tricaine mesylate,3-aminobenzoic acid ethyl ester methanesulfonate,ethyl m-aminobenzoate methanesulfonate,ethyl 3-aminobenzoate methanesulfonic acid salt,3-aminobenzoic acid ethyl ester methanesulfonate salt |
| IUPAC Name | ethyl 3-aminobenzoate;methanesulfonic acid |
| InChI Key | FQZJYWMRQDKBQN-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO5S |