Organic acids and derivatives
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Propionic Acid Hemicalcium Salt, MP Biomedicals™
CAS: 4075-81-4 Molecular Formula: C6H10CaO4 Molecular Weight (g/mol): 186.22 MDL Number: MFCD00167354 InChI Key: BCZXFFBUYPCTSJ-UHFFFAOYSA-L Synonym: calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 PubChem CID: 19999 ChEBI: CHEBI:81716 IUPAC Name: calcium dipropanoate SMILES: [Ca++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 19999 |
|---|---|
| CAS | 4075-81-4 |
| Molecular Weight (g/mol) | 186.22 |
| ChEBI | CHEBI:81716 |
| MDL Number | MFCD00167354 |
| SMILES | [Ca++].CCC([O-])=O.CCC([O-])=O |
| Synonym | calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 |
| IUPAC Name | calcium dipropanoate |
| InChI Key | BCZXFFBUYPCTSJ-UHFFFAOYSA-L |
| Molecular Formula | C6H10CaO4 |
N-(2,3-Epoxypropyl)phthalimide, 95%
CAS: 5455-98-1 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.20 MDL Number: MFCD00005896,MFCD04973349,MFCD04973350 InChI Key: DUILGEYLVHGSEE-UHFFFAOYNA-N Synonym: n-2,3-epoxypropyl phthalimide,n-glycidylphthalimide,2-oxiran-2-ylmethyl isoindoline-1,3-dione,2-oxiran-2-ylmethyl-1h-isoindole-1,3 2h-dione,2,3-epoxypropylphthalimide,1h-isoindole-1,3 2h-dione, 2-oxiranylmethyl,denacol ex 731,phthalimidomethyl oxirane,n-2,3-epoxypropyl-2-phthalimide,phthalimide, n-2,3-epoxypropyl PubChem CID: 21601 IUPAC Name: 2-(oxiran-2-ylmethyl)isoindole-1,3-dione SMILES: O=C1N(CC2CO2)C(=O)C2=CC=CC=C12
| PubChem CID | 21601 |
|---|---|
| CAS | 5455-98-1 |
| Molecular Weight (g/mol) | 203.20 |
| MDL Number | MFCD00005896,MFCD04973349,MFCD04973350 |
| SMILES | O=C1N(CC2CO2)C(=O)C2=CC=CC=C12 |
| Synonym | n-2,3-epoxypropyl phthalimide,n-glycidylphthalimide,2-oxiran-2-ylmethyl isoindoline-1,3-dione,2-oxiran-2-ylmethyl-1h-isoindole-1,3 2h-dione,2,3-epoxypropylphthalimide,1h-isoindole-1,3 2h-dione, 2-oxiranylmethyl,denacol ex 731,phthalimidomethyl oxirane,n-2,3-epoxypropyl-2-phthalimide,phthalimide, n-2,3-epoxypropyl |
| IUPAC Name | 2-(oxiran-2-ylmethyl)isoindole-1,3-dione |
| InChI Key | DUILGEYLVHGSEE-UHFFFAOYNA-N |
| Molecular Formula | C11H9NO3 |
Phytosterols, Practical Grade, MP Biomedicals™
CAS: 83-46-5 Molecular Formula: C29H50O Molecular Weight (g/mol): 414.718 InChI Key: KZJWDPNRJALLNS-VJSFXXLFSA-N Synonym: 22,23-dihydrostigmasterol,α-Dihydrofucosterol,24β-Ethylcholesterol,5-Stigmasten-3β-ol,22,23-dihydrostigmasterol,azuprostat,triastonal,cinchol,rhamnol,harzol PubChem CID: 222284 ChEBI: CHEBI:27693 IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
| PubChem CID | 222284 |
|---|---|
| CAS | 83-46-5 |
| Molecular Weight (g/mol) | 414.718 |
| ChEBI | CHEBI:27693 |
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Synonym | 22,23-dihydrostigmasterol,α-Dihydrofucosterol,24β-Ethylcholesterol,5-Stigmasten-3β-ol,22,23-dihydrostigmasterol,azuprostat,triastonal,cinchol,rhamnol,harzol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI Key | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| Molecular Formula | C29H50O |
1,3-Propane sultone, MP Biomedicals™
CAS: 1120-71-4 Molecular Formula: C3H6O3S Molecular Weight (g/mol): 122.14 MDL Number: MFCD00005355 InChI Key: FSSPGSAQUIYDCN-UHFFFAOYSA-N Synonym: 1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9 PubChem CID: 14264 ChEBI: CHEBI:82370 IUPAC Name: 1,2λ⁶-oxathiolane-2,2-dione SMILES: O=S1(=O)CCCO1
| PubChem CID | 14264 |
|---|---|
| CAS | 1120-71-4 |
| Molecular Weight (g/mol) | 122.14 |
| ChEBI | CHEBI:82370 |
| MDL Number | MFCD00005355 |
| SMILES | O=S1(=O)CCCO1 |
| Synonym | 1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9 |
| IUPAC Name | 1,2λ⁶-oxathiolane-2,2-dione |
| InChI Key | FSSPGSAQUIYDCN-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3S |
Thioglycolic acid, 99.94%, Bacteriological grade, MP Biomedicals™
CAS: 367-51-1 Molecular Formula: C2H3NaO2S Molecular Weight (g/mol): 114.094 InChI Key: GNBVPFITFYNRCN-UHFFFAOYSA-M Synonym: sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate PubChem CID: 23690444 ChEBI: CHEBI:86481 IUPAC Name: sodium;2-sulfanylacetate SMILES: C(C(=O)[O-])S.[Na+]
| PubChem CID | 23690444 |
|---|---|
| CAS | 367-51-1 |
| Molecular Weight (g/mol) | 114.094 |
| ChEBI | CHEBI:86481 |
| SMILES | C(C(=O)[O-])S.[Na+] |
| Synonym | sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate |
| IUPAC Name | sodium;2-sulfanylacetate |
| InChI Key | GNBVPFITFYNRCN-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO2S |
3-Aminobenzeneboronic acid hemisulfate, 98+%
CAS: 66472-86-4 Molecular Formula: C12H18B2N2O8S Molecular Weight (g/mol): 371.96 MDL Number: MFCD00013111 InChI Key: UKTAURVTSWDIQR-UHFFFAOYSA-N Synonym: 3-aminophenyl boronic acid sulfate 2:1,3-aminobenzeneboronic acid hemisulfate salt,3-aminophenylboronic acid hemisulfate,3-aminobenzeneboronic acid hemisulfate,3-aminophenylboronic acid hemisulphate,4-aminophenylboronic acid hemisulfate,m-aminophenyl boronic acid, hemisulphate,boronic acid, 3-aminophenyl-, sulfate 2:1,3-aminophenyl boronic acid; sulfuric acid,bis m-aminophenylboronic acid ; sulfuric acid PubChem CID: 16211139 IUPAC Name: (3-aminophenyl)boronic acid;sulfuric acid SMILES: OS(O)(=O)=O.NC1=CC=CC(=C1)B(O)O.NC1=CC=CC(=C1)B(O)O
| PubChem CID | 16211139 |
|---|---|
| CAS | 66472-86-4 |
| Molecular Weight (g/mol) | 371.96 |
| MDL Number | MFCD00013111 |
| SMILES | OS(O)(=O)=O.NC1=CC=CC(=C1)B(O)O.NC1=CC=CC(=C1)B(O)O |
| Synonym | 3-aminophenyl boronic acid sulfate 2:1,3-aminobenzeneboronic acid hemisulfate salt,3-aminophenylboronic acid hemisulfate,3-aminobenzeneboronic acid hemisulfate,3-aminophenylboronic acid hemisulphate,4-aminophenylboronic acid hemisulfate,m-aminophenyl boronic acid, hemisulphate,boronic acid, 3-aminophenyl-, sulfate 2:1,3-aminophenyl boronic acid; sulfuric acid,bis m-aminophenylboronic acid ; sulfuric acid |
| IUPAC Name | (3-aminophenyl)boronic acid;sulfuric acid |
| InChI Key | UKTAURVTSWDIQR-UHFFFAOYSA-N |
| Molecular Formula | C12H18B2N2O8S |
Sodium Succinate, Anhydrous, Reagent, 99-102%, Spectrum™ Chemical
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CAS: 150-90-3 Molecular Formula: C4H4Na2O4 Molecular Weight (g/mol): 162.05 InChI Key: ZDQYSKICYIVCPN-UHFFFAOYSA-L IUPAC Name: disodium butanedioate SMILES: [Na+].[Na+].[O-]C(=O)CCC([O-])=O
| CAS | 150-90-3 |
|---|---|
| Molecular Weight (g/mol) | 162.05 |
| SMILES | [Na+].[Na+].[O-]C(=O)CCC([O-])=O |
| IUPAC Name | disodium butanedioate |
| InChI Key | ZDQYSKICYIVCPN-UHFFFAOYSA-L |
| Molecular Formula | C4H4Na2O4 |
H-7 dihydrochloride, Thermo Scientific Chemicals
CAS: 108930-17-2 Molecular Formula: C14H19Cl2N3O2S Molecular Weight (g/mol): 364.285 MDL Number: MFCD00036961 InChI Key: OARGPFMFRLLKPF-UHFFFAOYSA-N Synonym: h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride PubChem CID: 73332 ChEBI: CHEBI:82739 IUPAC Name: 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride SMILES: CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
| PubChem CID | 73332 |
|---|---|
| CAS | 108930-17-2 |
| Molecular Weight (g/mol) | 364.285 |
| ChEBI | CHEBI:82739 |
| MDL Number | MFCD00036961 |
| SMILES | CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl |
| Synonym | h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride |
| IUPAC Name | 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride |
| InChI Key | OARGPFMFRLLKPF-UHFFFAOYSA-N |
| Molecular Formula | C14H19Cl2N3O2S |
Oxamic acid, 98%
CAS: 471-47-6 Molecular Formula: C2H3NO3 Molecular Weight (g/mol): 89.05 MDL Number: MFCD00008006 InChI Key: SOWBFZRMHSNYGE-UHFFFAOYSA-N Synonym: 2-amino-2-oxoacetic acid,oxamate,acetic acid, aminooxo,oxalamic acid,oxamidic acid,glycine, 2-oxo,oxalic acid monoamide,amino oxo acetic acid,aminooxoacetic acid,oxamate repellent PubChem CID: 974 ChEBI: CHEBI:18058 IUPAC Name: oxamic acid SMILES: C(=O)(C(=O)O)N
| PubChem CID | 974 |
|---|---|
| CAS | 471-47-6 |
| Molecular Weight (g/mol) | 89.05 |
| ChEBI | CHEBI:18058 |
| MDL Number | MFCD00008006 |
| SMILES | C(=O)(C(=O)O)N |
| Synonym | 2-amino-2-oxoacetic acid,oxamate,acetic acid, aminooxo,oxalamic acid,oxamidic acid,glycine, 2-oxo,oxalic acid monoamide,amino oxo acetic acid,aminooxoacetic acid,oxamate repellent |
| IUPAC Name | oxamic acid |
| InChI Key | SOWBFZRMHSNYGE-UHFFFAOYSA-N |
| Molecular Formula | C2H3NO3 |
4-Nitrophenyl trifluoromethanesulfonate, 99%, Thermo Scientific™
CAS: 17763-80-3 Molecular Formula: C7H4F3NO5S Molecular Weight (g/mol): 271.17 MDL Number: MFCD00192354 InChI Key: NDTIXHNCNLKURN-UHFFFAOYSA-N Synonym: trifluoromethanesulfonic acid 4-nitrophenyl ester,4-nitrophenyltriflate,4-nitrophenyl triflate,acmc-20amc8,4-nitrophenyl trifluoromethyl sulfonate,4-nitrophenyl trifluoromethanesulfonate,1-trifluoromethylsulfonyloxy-4-nitrobenzene,4-trifluoromethylsulfonyloxy-1-nitrobenzene PubChem CID: 549870 IUPAC Name: (4-nitrophenyl) trifluoromethanesulfonate SMILES: [O-][N+](=O)C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1
| PubChem CID | 549870 |
|---|---|
| CAS | 17763-80-3 |
| Molecular Weight (g/mol) | 271.17 |
| MDL Number | MFCD00192354 |
| SMILES | [O-][N+](=O)C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1 |
| Synonym | trifluoromethanesulfonic acid 4-nitrophenyl ester,4-nitrophenyltriflate,4-nitrophenyl triflate,acmc-20amc8,4-nitrophenyl trifluoromethyl sulfonate,4-nitrophenyl trifluoromethanesulfonate,1-trifluoromethylsulfonyloxy-4-nitrobenzene,4-trifluoromethylsulfonyloxy-1-nitrobenzene |
| IUPAC Name | (4-nitrophenyl) trifluoromethanesulfonate |
| InChI Key | NDTIXHNCNLKURN-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO5S |
5-Methylfuran-2-boronic acid pinacol ester, 97%
CAS: 338998-93-9 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.06 MDL Number: MFCD03094689 InChI Key: FNPZFZKLYGWKLH-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-5-methylfuran-2-yl-1,3,2-dioxaborolane,5-methylfuran-2-boronic acid pinacol ester,2-methylfurane-5-boronic acid pinacol ester,2-methylfuran-5-boronic acid pinacol ester,2-methyl-furyl-5-pinacolato boron,5-methyl-2-furanboronic acid pinacol ester,4,4,5,5-tetramethyl-2-5-methyl-2-furyl-1,3,2-dioxaborolane,5-methyl-2-4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl furan,4,4,5,5-tetramethyl-2-5-methyl-2-furanyl-1,3,2-dioxaborolane,5-methylfuran-2-yl boronic acid pinacol ester PubChem CID: 2736881 IUPAC Name: 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane SMILES: CC1=CC=C(O1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2736881 |
|---|---|
| CAS | 338998-93-9 |
| Molecular Weight (g/mol) | 208.06 |
| MDL Number | MFCD03094689 |
| SMILES | CC1=CC=C(O1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 4,4,5,5-tetramethyl-2-5-methylfuran-2-yl-1,3,2-dioxaborolane,5-methylfuran-2-boronic acid pinacol ester,2-methylfurane-5-boronic acid pinacol ester,2-methylfuran-5-boronic acid pinacol ester,2-methyl-furyl-5-pinacolato boron,5-methyl-2-furanboronic acid pinacol ester,4,4,5,5-tetramethyl-2-5-methyl-2-furyl-1,3,2-dioxaborolane,5-methyl-2-4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl furan,4,4,5,5-tetramethyl-2-5-methyl-2-furanyl-1,3,2-dioxaborolane,5-methylfuran-2-yl boronic acid pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane |
| InChI Key | FNPZFZKLYGWKLH-UHFFFAOYSA-N |
| Molecular Formula | C11H17BO3 |
| Physical Form | Solid |
|---|---|
| Melting Point | 220°C to 222°C |
Isobutyramide, 99%
CAS: 563-83-7 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.122 MDL Number: MFCD00008019 InChI Key: WFKAJVHLWXSISD-UHFFFAOYSA-N Synonym: isobutyramide,propanamide, 2-methyl,2-methylpropionamide,isobutyrimidic acid,isobutylamide,isopropylformamide,dimethylacetoamide,unii-82uoe7b38z,dimethylacetamid,c-isopropylformamide PubChem CID: 68424 IUPAC Name: 2-methylpropanamide SMILES: CC(C)C(=O)N
| PubChem CID | 68424 |
|---|---|
| CAS | 563-83-7 |
| Molecular Weight (g/mol) | 87.122 |
| MDL Number | MFCD00008019 |
| SMILES | CC(C)C(=O)N |
| Synonym | isobutyramide,propanamide, 2-methyl,2-methylpropionamide,isobutyrimidic acid,isobutylamide,isopropylformamide,dimethylacetoamide,unii-82uoe7b38z,dimethylacetamid,c-isopropylformamide |
| IUPAC Name | 2-methylpropanamide |
| InChI Key | WFKAJVHLWXSISD-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO |
Diethyl 1-tetradecylphosphonate, 97+%
CAS: 5191-09-3 MDL Number: MFCD00015597 InChI Key: CPWIYYOBPHXJIA-UHFFFAOYSA-N PubChem CID: 640154 SMILES: CCCCCCCCCCCCCCP(=O)(OCC)OCC
| PubChem CID | 640154 |
|---|---|
| CAS | 5191-09-3 |
| MDL Number | MFCD00015597 |
| SMILES | CCCCCCCCCCCCCCP(=O)(OCC)OCC |
| InChI Key | CPWIYYOBPHXJIA-UHFFFAOYSA-N |
Benzene-1,3-disulfonic acid disodium salt, 94%
CAS: 831-59-4 Molecular Formula: C6H4Na2O6S2 Molecular Weight (g/mol): 282.19 MDL Number: MFCD00007492 InChI Key: XWPWZOJBTOJEGW-UHFFFAOYSA-L Synonym: disodium 1,3-benzenedisulfonate,disodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, disodium salt,benzene-1,3-disulfonic acid disodium salt,1,3-benzenedisulfonic acid disodium salt,disodium benzene-1,3-disulphonate,disodium m-benzenedisulfonate,sodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, sodium salt 1:2,m-benzenedisulfonic acid, disodium salt PubChem CID: 71577 IUPAC Name: disodium;benzene-1,3-disulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S([O-])(=O)=O
| PubChem CID | 71577 |
|---|---|
| CAS | 831-59-4 |
| Molecular Weight (g/mol) | 282.19 |
| MDL Number | MFCD00007492 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S([O-])(=O)=O |
| Synonym | disodium 1,3-benzenedisulfonate,disodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, disodium salt,benzene-1,3-disulfonic acid disodium salt,1,3-benzenedisulfonic acid disodium salt,disodium benzene-1,3-disulphonate,disodium m-benzenedisulfonate,sodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, sodium salt 1:2,m-benzenedisulfonic acid, disodium salt |
| IUPAC Name | disodium;benzene-1,3-disulfonate |
| InChI Key | XWPWZOJBTOJEGW-UHFFFAOYSA-L |
| Molecular Formula | C6H4Na2O6S2 |