Organic acids and derivatives
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Urea hydrogen peroxide, 1 g tablets, stabilized, contains 35 wt% H2O2
CAS: 124-43-6 Molecular Formula: CH6N2O3 Molecular Weight (g/mol): 94.07 InChI Key: AQLJVWUFPCUVLO-UHFFFAOYSA-N Synonym: urea hydrogen peroxide,carbamide peroxide,percarbamide,urea peroxide,urea dioxide,hydrogen peroxide urea,urea hydroperoxide,hydroperit,hydroperite,percarbamid PubChem CID: 31294 ChEBI: CHEBI:75178 IUPAC Name: hydrogen peroxide;urea SMILES: C(=O)(N)N.OO
| PubChem CID | 31294 |
|---|---|
| CAS | 124-43-6 |
| Molecular Weight (g/mol) | 94.07 |
| ChEBI | CHEBI:75178 |
| SMILES | C(=O)(N)N.OO |
| Synonym | urea hydrogen peroxide,carbamide peroxide,percarbamide,urea peroxide,urea dioxide,hydrogen peroxide urea,urea hydroperoxide,hydroperit,hydroperite,percarbamid |
| IUPAC Name | hydrogen peroxide;urea |
| InChI Key | AQLJVWUFPCUVLO-UHFFFAOYSA-N |
| Molecular Formula | CH6N2O3 |
Tetraacetylethylenediamine, 90%
CAS: 10543-57-4 Molecular Formula: C10H16N2O4 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00014967 InChI Key: BGRWYDHXPHLNKA-UHFFFAOYSA-N Synonym: tetraacetylethylenediamine,n,n,n',n'-tetraacetylethylenediamine,taed,tetracetylethylenediamine,acetamide, n,n'-1,2-ethanediylbis n-acetyl,n,n'-ethylenebis n-acetylacetamide,unii-p411ed0n2b,n,n'-ethane-1,2-diyl bis n-acetylacetamide,n-acetyl-n-2-diacetylamino ethyl acetamide PubChem CID: 66347 IUPAC Name: N-acetyl-N-[2-(diacetylamino)ethyl]acetamide SMILES: CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
| PubChem CID | 66347 |
|---|---|
| CAS | 10543-57-4 |
| Molecular Weight (g/mol) | 228.25 |
| MDL Number | MFCD00014967 |
| SMILES | CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C |
| Synonym | tetraacetylethylenediamine,n,n,n',n'-tetraacetylethylenediamine,taed,tetracetylethylenediamine,acetamide, n,n'-1,2-ethanediylbis n-acetyl,n,n'-ethylenebis n-acetylacetamide,unii-p411ed0n2b,n,n'-ethane-1,2-diyl bis n-acetylacetamide,n-acetyl-n-2-diacetylamino ethyl acetamide |
| IUPAC Name | N-acetyl-N-[2-(diacetylamino)ethyl]acetamide |
| InChI Key | BGRWYDHXPHLNKA-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O4 |
3-Aminophenylboronic 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 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 |
| InChI Key | UKTAURVTSWDIQR-UHFFFAOYSA-N |
| Molecular Formula | C12H18B2N2O8S |
Ethyl chloroacetate, 99%
CAS: 105-39-5 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 |
| 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 |
Cyanoacetic acid, 97%
CAS: 372-09-8 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.062 MDL Number: MFCD00002677 InChI Key: MLIREBYILWEBDM-UHFFFAOYSA-N Synonym: cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova PubChem CID: 9740 ChEBI: CHEBI:51889 IUPAC Name: 2-cyanoacetic acid SMILES: C(C#N)C(=O)O
| PubChem CID | 9740 |
|---|---|
| CAS | 372-09-8 |
| Molecular Weight (g/mol) | 85.062 |
| ChEBI | CHEBI:51889 |
| MDL Number | MFCD00002677 |
| SMILES | C(C#N)C(=O)O |
| Synonym | cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova |
| IUPAC Name | 2-cyanoacetic acid |
| InChI Key | MLIREBYILWEBDM-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO2 |
Sodium 1-nonanesulfonate, 98+%
CAS: 35192-74-6 Molecular Formula: C9H19NaO3S Molecular Weight (g/mol): 230.298 MDL Number: MFCD00025010 InChI Key: RUYRDULZOKULPK-UHFFFAOYSA-M Synonym: sodium nonane-1-sulfonate,sodium 1-nonanesulfonate,1-nonanesulfonic acid sodium salt,1-nonanesulfonic acid, sodium salt,sodium nonylsulfonate,sodium 1-nonanesulphonate,ipc-alks-9,1-eeie>>cea aaeni,c9h19o3s.na,potassium nonane-1-sulfonate PubChem CID: 23664777 IUPAC Name: sodium;nonane-1-sulfonate SMILES: CCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23664777 |
|---|---|
| CAS | 35192-74-6 |
| Molecular Weight (g/mol) | 230.298 |
| MDL Number | MFCD00025010 |
| SMILES | CCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium nonane-1-sulfonate,sodium 1-nonanesulfonate,1-nonanesulfonic acid sodium salt,1-nonanesulfonic acid, sodium salt,sodium nonylsulfonate,sodium 1-nonanesulphonate,ipc-alks-9,1-eeie>>cea aaeni,c9h19o3s.na,potassium nonane-1-sulfonate |
| IUPAC Name | sodium;nonane-1-sulfonate |
| InChI Key | RUYRDULZOKULPK-UHFFFAOYSA-M |
| Molecular Formula | C9H19NaO3S |
Mercaptoacetic acid sodium salt, 97%
CAS: 367-51-1 Molecular Formula: C2H3NaO2S Molecular Weight (g/mol): 114.094 MDL Number: MFCD00043386 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 |
| MDL Number | MFCD00043386 |
| 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 |
Cyclohexanecarboxylic acid, 98%
CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O
| PubChem CID | 7413 |
|---|---|
| CAS | 98-89-5 |
| Molecular Weight (g/mol) | 128.171 |
| ChEBI | CHEBI:36096 |
| MDL Number | MFCD00001461 |
| SMILES | C1CCC(CC1)C(=O)O |
| Synonym | hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid |
| IUPAC Name | cyclohexanecarboxylic acid |
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Benzyl methacrylate, 98%, stab. with ca 50-100ppm 4-methoxyphenol
CAS: 2495-37-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00053684 InChI Key: AOJOEFVRHOZDFN-UHFFFAOYSA-N Synonym: benzyl methacrylate,2-propenoic acid, 2-methyl-, phenylmethyl ester,benzylmethacrylate,methacrylic acid benzyl ester,methacrylic acid, benzyl ester,unii-z3248k2ssm,phenylmethyl 2-methylprop-2-enoate,poly benzylmethacrylate,bzma,methacrylic acid benzyl PubChem CID: 17236 IUPAC Name: benzyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC1=CC=CC=C1
| PubChem CID | 17236 |
|---|---|
| CAS | 2495-37-6 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00053684 |
| SMILES | CC(=C)C(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl methacrylate,2-propenoic acid, 2-methyl-, phenylmethyl ester,benzylmethacrylate,methacrylic acid benzyl ester,methacrylic acid, benzyl ester,unii-z3248k2ssm,phenylmethyl 2-methylprop-2-enoate,poly benzylmethacrylate,bzma,methacrylic acid benzyl |
| IUPAC Name | benzyl 2-methylprop-2-enoate |
| InChI Key | AOJOEFVRHOZDFN-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
Triphosgene, 98%
CAS: 32315-10-9 Molecular Formula: C3Cl6O3 Molecular Weight (g/mol): 296.73 MDL Number: MFCD00062848 InChI Key: UCPYLLCMEDAXFR-UHFFFAOYSA-N Synonym: triphosgene,bis trichloromethyl carbonate,methanol, trichloro-, carbonate 2:1,ditrichloromethyl carbonate,triphosgene bis-trichloromethyl carbonate,methanol, 1,1,1-trichloro-, 1,1'-carbonate,triphosgen,tri phosgene,tri-phosgene PubChem CID: 94429 IUPAC Name: bis(trichloromethyl) carbonate SMILES: C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
| PubChem CID | 94429 |
|---|---|
| CAS | 32315-10-9 |
| Molecular Weight (g/mol) | 296.73 |
| MDL Number | MFCD00062848 |
| SMILES | C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl |
| Synonym | triphosgene,bis trichloromethyl carbonate,methanol, trichloro-, carbonate 2:1,ditrichloromethyl carbonate,triphosgene bis-trichloromethyl carbonate,methanol, 1,1,1-trichloro-, 1,1'-carbonate,triphosgen,tri phosgene,tri-phosgene |
| IUPAC Name | bis(trichloromethyl) carbonate |
| InChI Key | UCPYLLCMEDAXFR-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O3 |
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 |
2-Ethylhexanoic acid, 99%
CAS: 149-57-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O
| PubChem CID | 8697 |
|---|---|
| CAS | 149-57-5 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00002675 |
| SMILES | CCCCC(CC)C(=O)O |
| Synonym | 2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid |
| IUPAC Name | 2-ethylhexanoic acid |
| InChI Key | OBETXYAYXDNJHR-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Citric acid, triammonium salt, 97+%, pure
CAS: 3458-72-8 Molecular Formula: C6H20N3O7+3 Molecular Weight (g/mol): 246.24 MDL Number: MFCD00036406 InChI Key: YWYZEGXAUVWDED-UHFFFAOYSA-Q Synonym: ammonium citrate PubChem CID: 131675891 IUPAC Name: azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium SMILES: C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N
| PubChem CID | 131675891 |
|---|---|
| CAS | 3458-72-8 |
| Molecular Weight (g/mol) | 246.24 |
| MDL Number | MFCD00036406 |
| SMILES | C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N |
| Synonym | ammonium citrate |
| IUPAC Name | azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium |
| InChI Key | YWYZEGXAUVWDED-UHFFFAOYSA-Q |
| Molecular Formula | C6H20N3O7+3 |
Citric acid, diammonium salt, 98%, pure
CAS: 3012-65-5 Molecular Formula: C6H14N2O7 Molecular Weight (g/mol): 226.19 MDL Number: MFCD00013068 InChI Key: YXVFQADLFFNVDS-UHFFFAOYSA-N Synonym: ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss PubChem CID: 13710713 ChEBI: CHEBI:63076 IUPAC Name: azane;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O
| PubChem CID | 13710713 |
|---|---|
| CAS | 3012-65-5 |
| Molecular Weight (g/mol) | 226.19 |
| ChEBI | CHEBI:63076 |
| MDL Number | MFCD00013068 |
| SMILES | [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O |
| Synonym | ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss |
| IUPAC Name | azane;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | YXVFQADLFFNVDS-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O7 |
trans-3-(3-Pyridyl)acrylic acid, 99%
CAS: 19337-97-4 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00006410 InChI Key: VUVORVXMOLQFMO-ONEGZZNKSA-N Synonym: 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid PubChem CID: 776396 IUPAC Name: (E)-3-pyridin-3-ylprop-2-enoic acid SMILES: C1=CC(=CN=C1)C=CC(=O)O
| PubChem CID | 776396 |
|---|---|
| CAS | 19337-97-4 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00006410 |
| SMILES | C1=CC(=CN=C1)C=CC(=O)O |
| Synonym | 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-3-ylprop-2-enoic acid |
| InChI Key | VUVORVXMOLQFMO-ONEGZZNKSA-N |
| Molecular Formula | C8H7NO2 |