Organic acids and derivatives
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Sodium DL-Lactate Solution, USP, 60%, Spectrum™ Chemical
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Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYNA-M IUPAC Name: sodium 2-hydroxypropanoate SMILES: [Na+].CC(O)C([O-])=O
| Molecular Weight (g/mol) | 112.06 |
|---|---|
| SMILES | [Na+].CC(O)C([O-])=O |
| IUPAC Name | sodium 2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYNA-M |
| Molecular Formula | C3H5NaO3 |
Butane-1-sulfonic acid, LiChropur™ EMD-Millipore
CAS: 2386-54-1 Molecular Formula: C4H9NaO3S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007540 InChI Key: XQCHMGAOAWZUPI-UHFFFAOYSA-M Synonym: sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot PubChem CID: 4096517 IUPAC Name: sodium butane-1-sulfonate SMILES: [Na+].CCCCS([O-])(=O)=O
| PubChem CID | 4096517 |
|---|---|
| CAS | 2386-54-1 |
| Molecular Weight (g/mol) | 160.16 |
| MDL Number | MFCD00007540 |
| SMILES | [Na+].CCCCS([O-])(=O)=O |
| Synonym | sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot |
| IUPAC Name | sodium butane-1-sulfonate |
| InChI Key | XQCHMGAOAWZUPI-UHFFFAOYSA-M |
| Molecular Formula | C4H9NaO3S |
Ethyl oleate, tech. 70%
CAS: 111-62-6 Molecular Formula: C20H38O2 Molecular Weight (g/mol): 310.522 MDL Number: MFCD00009579 InChI Key: LVGKNOAMLMIIKO-QXMHVHEDSA-N Synonym: ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450 PubChem CID: 5363269 ChEBI: CHEBI:84940 IUPAC Name: ethyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC
| PubChem CID | 5363269 |
|---|---|
| CAS | 111-62-6 |
| Molecular Weight (g/mol) | 310.522 |
| ChEBI | CHEBI:84940 |
| MDL Number | MFCD00009579 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC |
| Synonym | ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450 |
| IUPAC Name | ethyl (Z)-octadec-9-enoate |
| InChI Key | LVGKNOAMLMIIKO-QXMHVHEDSA-N |
| Molecular Formula | C20H38O2 |
Ethyl chloroacetate, 99%
CAS: 105-39-5 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.548 MDL Number: MFCD00000932 InChI Key: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonym: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf PubChem CID: 7751 IUPAC Name: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl
| PubChem CID | 7751 |
|---|---|
| CAS | 105-39-5 |
| Molecular Weight (g/mol) | 122.548 |
| MDL Number | MFCD00000932 |
| SMILES | CCOC(=O)CCl |
| Synonym | ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf |
| IUPAC Name | ethyl 2-chloroacetate |
| InChI Key | VEUUMBGHMNQHGO-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO2 |
N-(Chloromethyl)phthalimide, 97%
CAS: 17564-64-6 Molecular Formula: C9H6ClNO2 Molecular Weight (g/mol): 195.602 MDL Number: MFCD00005898 InChI Key: JKGLRGGCGUQNEX-UHFFFAOYSA-N Synonym: n-chloromethyl phthalimide,2-chloromethyl isoindoline-1,3-dione,n-chloromethylphthalimide,chloromethylphthalimide,n-chloromethyltrimellitimide,1h-isoindole-1,3 2h-dione, 2-chloromethyl,phthalimide, n-chloromethyl,2-chloromethyl isoindole-1,3-dione,2-chloromethyl-1h-isoindole-1,3 2h-dione PubChem CID: 87154 IUPAC Name: 2-(chloromethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCl
| PubChem CID | 87154 |
|---|---|
| CAS | 17564-64-6 |
| Molecular Weight (g/mol) | 195.602 |
| MDL Number | MFCD00005898 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCl |
| Synonym | n-chloromethyl phthalimide,2-chloromethyl isoindoline-1,3-dione,n-chloromethylphthalimide,chloromethylphthalimide,n-chloromethyltrimellitimide,1h-isoindole-1,3 2h-dione, 2-chloromethyl,phthalimide, n-chloromethyl,2-chloromethyl isoindole-1,3-dione,2-chloromethyl-1h-isoindole-1,3 2h-dione |
| IUPAC Name | 2-(chloromethyl)isoindole-1,3-dione |
| InChI Key | JKGLRGGCGUQNEX-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO2 |
Methyl 3-methylthiophene-2-carboxylate, 99%
CAS: 81452-54-2 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00234332 InChI Key: BRWROFVPMUPMJQ-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b PubChem CID: 580757 IUPAC Name: methyl 3-methylthiophene-2-carboxylate SMILES: COC(=O)C1=C(C)C=CS1
| PubChem CID | 580757 |
|---|---|
| CAS | 81452-54-2 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00234332 |
| SMILES | COC(=O)C1=C(C)C=CS1 |
| Synonym | methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b |
| IUPAC Name | methyl 3-methylthiophene-2-carboxylate |
| InChI Key | BRWROFVPMUPMJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
3,5-Dinitrobenzamide, 98%
CAS: 121-81-3 Molecular Formula: C7H5N3O5 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007985 InChI Key: UUKWKUSGGZNXGA-UHFFFAOYSA-N Synonym: nitromide,tristat,unistat,benzamide, 3,5-dinitro,nitromide usan,component of tristat,nitroamide,component of unistat-3,unii-9duj3cmk8s,9duj3cmk8s PubChem CID: 4511 IUPAC Name: 3,5-dinitrobenzamide SMILES: NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 4511 |
|---|---|
| CAS | 121-81-3 |
| Molecular Weight (g/mol) | 211.13 |
| MDL Number | MFCD00007985 |
| SMILES | NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O |
| Synonym | nitromide,tristat,unistat,benzamide, 3,5-dinitro,nitromide usan,component of tristat,nitroamide,component of unistat-3,unii-9duj3cmk8s,9duj3cmk8s |
| IUPAC Name | 3,5-dinitrobenzamide |
| InChI Key | UUKWKUSGGZNXGA-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O5 |
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 |
Niacinamide, FCC, 98.5-101%, Spectrum™ Chemical
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CAS: 98-92-0 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.13 InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N IUPAC Name: pyridine-3-carboxamide SMILES: NC(=O)C1=CC=CN=C1
| CAS | 98-92-0 |
|---|---|
| Molecular Weight (g/mol) | 122.13 |
| SMILES | NC(=O)C1=CC=CN=C1 |
| IUPAC Name | pyridine-3-carboxamide |
| InChI Key | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
2,2,3,3,4,4,4-Heptafluorobutyl acrylate, 97%, stab. with 100 ppm 4-methoxyphenol
CAS: 424-64-6 Molecular Formula: C7H5F7O2 Molecular Weight (g/mol): 254.104 MDL Number: MFCD00039252 InChI Key: PLXOUIVCSUBZIX-UHFFFAOYSA-N Synonym: 1h,1h-heptafluorobutyl acrylate,2,2,3,3,4,4,4-heptafluorobutyl acrylate,heptafluorobutyl acrylate,2-propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester,2,2,3,3,4,4,4-heptafluorobutyl acrylate, stab. with 100 ppm 4-methoxyphenol,1h, 1h-heptafluorobutylacrylate,1,1-dihydroheptafluorobutyl acrylate,1h,1h-heptafluorobut-1-yl acrylat,2,2,3,3,4,4,4-heptafluorobutyl=propenoate PubChem CID: 67923 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate SMILES: C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
| PubChem CID | 67923 |
|---|---|
| CAS | 424-64-6 |
| Molecular Weight (g/mol) | 254.104 |
| MDL Number | MFCD00039252 |
| SMILES | C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Synonym | 1h,1h-heptafluorobutyl acrylate,2,2,3,3,4,4,4-heptafluorobutyl acrylate,heptafluorobutyl acrylate,2-propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester,2,2,3,3,4,4,4-heptafluorobutyl acrylate, stab. with 100 ppm 4-methoxyphenol,1h, 1h-heptafluorobutylacrylate,1,1-dihydroheptafluorobutyl acrylate,1h,1h-heptafluorobut-1-yl acrylat,2,2,3,3,4,4,4-heptafluorobutyl=propenoate |
| IUPAC Name | 2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate |
| InChI Key | PLXOUIVCSUBZIX-UHFFFAOYSA-N |
| Molecular Formula | C7H5F7O2 |
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 |
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 |
2-Fluoro-6-methoxybenzeneboronic acid, 98%
CAS: 78495-63-3 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.946 MDL Number: MFCD02179483 InChI Key: XOVMDVZAWWQSDC-UHFFFAOYSA-N Synonym: 2-fluoro-6-methoxybenzeneboronic acid,2-fluoro-6-methoxyphenyl boronic acid,2-fluoro-6-methoxyphenylboronicacid,6-fluoro-2-methoxyphenylboronic acid,3-fluoroanisole-2-boronic acid,boronic acid, 2-fluoro-6-methoxyphenyl,2-fluoro-6-methyloxyphenylboronic acid,boronic acid, b-2-fluoro-6-methoxyphenyl,2-fluoro-6-methoxy-phenyl boronic acid,acmc-209pef PubChem CID: 3294524 IUPAC Name: (2-fluoro-6-methoxyphenyl)boronic acid SMILES: B(C1=C(C=CC=C1F)OC)(O)O
| PubChem CID | 3294524 |
|---|---|
| CAS | 78495-63-3 |
| Molecular Weight (g/mol) | 169.946 |
| MDL Number | MFCD02179483 |
| SMILES | B(C1=C(C=CC=C1F)OC)(O)O |
| Synonym | 2-fluoro-6-methoxybenzeneboronic acid,2-fluoro-6-methoxyphenyl boronic acid,2-fluoro-6-methoxyphenylboronicacid,6-fluoro-2-methoxyphenylboronic acid,3-fluoroanisole-2-boronic acid,boronic acid, 2-fluoro-6-methoxyphenyl,2-fluoro-6-methyloxyphenylboronic acid,boronic acid, b-2-fluoro-6-methoxyphenyl,2-fluoro-6-methoxy-phenyl boronic acid,acmc-209pef |
| IUPAC Name | (2-fluoro-6-methoxyphenyl)boronic acid |
| InChI Key | XOVMDVZAWWQSDC-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
2-(3-Methoxyallylidene)malonic acid dimethyl ester, 95%
CAS: 41530-32-9 Molecular Formula: C9H12O5 Molecular Weight (g/mol): 200.19 InChI Key: NOBNTZJTOBIOHL-GQCTYLIASA-N Synonym: 2-3-methoxyallylidene malonic acid dimethyl ester,dimethyl 2-3-methoxyallylidene malonate,1,3-dimethyl 2-2e-3-methoxyprop-2-en-1-ylidene propanedioate,2-3-methoxyallylidene malonic acid dimethyl ester, 96,dimethyl 2-e-3-methoxyprop-2-enylidene propanedioate,propanedioic acid, 3-methoxy-2-propenylidene-, dimethyl ester,dimethyl e-2-3-methoxyallylidene malonate,3-methoxy-2-propenylidene malonic acid dimethyl ester,dimethyl 2-2e-3-methoxy-2-propenylidene malonate # PubChem CID: 5374172 IUPAC Name: dimethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate SMILES: COC=CC=C(C(=O)OC)C(=O)OC
| PubChem CID | 5374172 |
|---|---|
| CAS | 41530-32-9 |
| Molecular Weight (g/mol) | 200.19 |
| SMILES | COC=CC=C(C(=O)OC)C(=O)OC |
| Synonym | 2-3-methoxyallylidene malonic acid dimethyl ester,dimethyl 2-3-methoxyallylidene malonate,1,3-dimethyl 2-2e-3-methoxyprop-2-en-1-ylidene propanedioate,2-3-methoxyallylidene malonic acid dimethyl ester, 96,dimethyl 2-e-3-methoxyprop-2-enylidene propanedioate,propanedioic acid, 3-methoxy-2-propenylidene-, dimethyl ester,dimethyl e-2-3-methoxyallylidene malonate,3-methoxy-2-propenylidene malonic acid dimethyl ester,dimethyl 2-2e-3-methoxy-2-propenylidene malonate # |
| IUPAC Name | dimethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate |
| InChI Key | NOBNTZJTOBIOHL-GQCTYLIASA-N |
| Molecular Formula | C9H12O5 |
Copper(II) trifluoromethanesulfonate, 98%
CAS: 34946-82-2 Molecular Formula: CHCuF3O3S Molecular Weight (g/mol): 213.617 MDL Number: MFCD00077492 InChI Key: GZWXEFRPSWBAGC-UHFFFAOYSA-N Synonym: copper; trifluoromethanesulfonic acid PubChem CID: 45051791 IUPAC Name: copper;trifluoromethanesulfonic acid SMILES: C(F)(F)(F)S(=O)(=O)O.[Cu]
| PubChem CID | 45051791 |
|---|---|
| CAS | 34946-82-2 |
| Molecular Weight (g/mol) | 213.617 |
| MDL Number | MFCD00077492 |
| SMILES | C(F)(F)(F)S(=O)(=O)O.[Cu] |
| Synonym | copper; trifluoromethanesulfonic acid |
| IUPAC Name | copper;trifluoromethanesulfonic acid |
| InChI Key | GZWXEFRPSWBAGC-UHFFFAOYSA-N |
| Molecular Formula | CHCuF3O3S |