Organic acids and derivatives
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DL-2-Bromopropionic acid, 99%
CAS: 598-72-1 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.98 MDL Number: MFCD00004211,MFCD00145205 InChI Key: MONMFXREYOKQTI-UHFFFAOYNA-N Synonym: 2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo PubChem CID: 11729 IUPAC Name: 2-bromopropanoic acid SMILES: CC(Br)C(O)=O
| PubChem CID | 11729 |
|---|---|
| CAS | 598-72-1 |
| Molecular Weight (g/mol) | 152.98 |
| MDL Number | MFCD00004211,MFCD00145205 |
| SMILES | CC(Br)C(O)=O |
| Synonym | 2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo |
| IUPAC Name | 2-bromopropanoic acid |
| InChI Key | MONMFXREYOKQTI-UHFFFAOYNA-N |
| Molecular Formula | C3H5BrO2 |
(-)-Epigallocatechin Gallate, Spectrum™ Chemical
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n-Butyl dodecanoate, 99+%
CAS: 106-18-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00042870 InChI Key: NDKYEUQMPZIGFN-UHFFFAOYSA-N Synonym: butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate PubChem CID: 61015 IUPAC Name: butyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 61015 |
|---|---|
| CAS | 106-18-3 |
| Molecular Weight (g/mol) | 256.43 |
| MDL Number | MFCD00042870 |
| SMILES | CCCCCCCCCCCC(=O)OCCCC |
| Synonym | butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate |
| IUPAC Name | butyl dodecanoate |
| InChI Key | NDKYEUQMPZIGFN-UHFFFAOYSA-N |
| Molecular Formula | C16H32O2 |
1-Methylpyrrole-2-carboxylic acid, 98%
CAS: 6973-60-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00003088 InChI Key: ILAOVOOZLVGAJF-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole-2-carboxylic acid,1-methyl-2-pyrrolecarboxylic acid,n-methylpyrrole-2-carboxylic acid,1h-pyrrole-2-carboxylic acid, 1-methyl,1h-pyrrolecarboxylic acid, methyl,1-methyl-1h-pyrrole-2-carboxylicacid,pubchem9181,acmc-209oar,ksc353i0t,2-carboxy-1-methyl-1h-pyrrole PubChem CID: 81453 IUPAC Name: 1-methylpyrrole-2-carboxylic acid SMILES: CN1C=CC=C1C(=O)O
| PubChem CID | 81453 |
|---|---|
| CAS | 6973-60-0 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD00003088 |
| SMILES | CN1C=CC=C1C(=O)O |
| Synonym | 1-methyl-1h-pyrrole-2-carboxylic acid,1-methyl-2-pyrrolecarboxylic acid,n-methylpyrrole-2-carboxylic acid,1h-pyrrole-2-carboxylic acid, 1-methyl,1h-pyrrolecarboxylic acid, methyl,1-methyl-1h-pyrrole-2-carboxylicacid,pubchem9181,acmc-209oar,ksc353i0t,2-carboxy-1-methyl-1h-pyrrole |
| IUPAC Name | 1-methylpyrrole-2-carboxylic acid |
| InChI Key | ILAOVOOZLVGAJF-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate, 95%, Thermo Scientific™
CAS: 69687-80-5 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00203859 InChI Key: OQWZEJIISPYZPW-UHFFFAOYSA-N Synonym: methyl 2,5-dimethylpyrrole-3-carboxylate,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl ester,2,5-dimethyl-1h-pyrrole-3-carboxylic acid methyl ester,maybridge1_008495,acmc-1b2uc,2,5-dimethyl,4-carbomethoxy pyrrole,2,5-dimethylpyrrole-3-carboxylic acid methyl ester,1h-pyrrole-3-carboxylicacid,2,5-dimethyl-,methyl ester,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-, methyl ester PubChem CID: 592729 IUPAC Name: methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate SMILES: CC1=CC(=C(N1)C)C(=O)OC
| PubChem CID | 592729 |
|---|---|
| CAS | 69687-80-5 |
| Molecular Weight (g/mol) | 153.181 |
| MDL Number | MFCD00203859 |
| SMILES | CC1=CC(=C(N1)C)C(=O)OC |
| Synonym | methyl 2,5-dimethylpyrrole-3-carboxylate,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl ester,2,5-dimethyl-1h-pyrrole-3-carboxylic acid methyl ester,maybridge1_008495,acmc-1b2uc,2,5-dimethyl,4-carbomethoxy pyrrole,2,5-dimethylpyrrole-3-carboxylic acid methyl ester,1h-pyrrole-3-carboxylicacid,2,5-dimethyl-,methyl ester,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-, methyl ester |
| IUPAC Name | methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate |
| InChI Key | OQWZEJIISPYZPW-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
2-Methyl-2h-indazole-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 34252-44-3 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 InChI Key: ABRISPFTOZIXMP-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl PubChem CID: 7060537 IUPAC Name: 2-methylindazole-3-carboxylic acid SMILES: CN1C(=C2C=CC=CC2=N1)C(=O)O
| PubChem CID | 7060537 |
|---|---|
| CAS | 34252-44-3 |
| Molecular Weight (g/mol) | 176.175 |
| SMILES | CN1C(=C2C=CC=CC2=N1)C(=O)O |
| Synonym | 2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl |
| IUPAC Name | 2-methylindazole-3-carboxylic acid |
| InChI Key | ABRISPFTOZIXMP-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
2,4-Thiazolidinedione, 99%
CAS: 2295-31-0 Molecular Formula: C3H3NO2S Molecular Weight (g/mol): 117.12 MDL Number: MFCD00005478 InChI Key: ZOBPZXTWZATXDG-UHFFFAOYSA-N Synonym: 2,4-thiazolidinedione,thiazolidinedione,thiazolidine-2,4-dione,2,4-dioxothiazolidine,2,4 3h,5h-thiazoledione,usaf ek-5496,thiazolidindione,unii-aa68lxk93c,2,4 thiazolidinedione,thiazolidinedione-2,4 PubChem CID: 5437 ChEBI: CHEBI:50992 IUPAC Name: 1,3-thiazolidine-2,4-dione SMILES: C1C(=O)NC(=O)S1
| PubChem CID | 5437 |
|---|---|
| CAS | 2295-31-0 |
| Molecular Weight (g/mol) | 117.12 |
| ChEBI | CHEBI:50992 |
| MDL Number | MFCD00005478 |
| SMILES | C1C(=O)NC(=O)S1 |
| Synonym | 2,4-thiazolidinedione,thiazolidinedione,thiazolidine-2,4-dione,2,4-dioxothiazolidine,2,4 3h,5h-thiazoledione,usaf ek-5496,thiazolidindione,unii-aa68lxk93c,2,4 thiazolidinedione,thiazolidinedione-2,4 |
| IUPAC Name | 1,3-thiazolidine-2,4-dione |
| InChI Key | ZOBPZXTWZATXDG-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO2S |
Methyl propiolate, 99%
CAS: 922-67-8 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.07 MDL Number: MFCD00008572 InChI Key: IMAKHNTVDGLIRY-UHFFFAOYSA-N Synonym: methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester PubChem CID: 13536 IUPAC Name: methyl prop-2-ynoate SMILES: COC(=O)C#C
| PubChem CID | 13536 |
|---|---|
| CAS | 922-67-8 |
| Molecular Weight (g/mol) | 84.07 |
| MDL Number | MFCD00008572 |
| SMILES | COC(=O)C#C |
| Synonym | methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester |
| IUPAC Name | methyl prop-2-ynoate |
| InChI Key | IMAKHNTVDGLIRY-UHFFFAOYSA-N |
| Molecular Formula | C4H4O2 |
4-Acryloylmorpholine, 97%
CAS: 5117-12-4 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 InChI Key: XLPJNCYCZORXHG-UHFFFAOYSA-N SMILES: C=CC(=O)N1CCOCC1
| CAS | 5117-12-4 |
|---|---|
| Molecular Weight (g/mol) | 141.17 |
| SMILES | C=CC(=O)N1CCOCC1 |
| InChI Key | XLPJNCYCZORXHG-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
3-Carboxy-4-methoxybenzeneboronic acid, 98%, Thermo Scientific Chemicals
CAS: 913836-12-1 Molecular Formula: C8H9BO5 Molecular Weight (g/mol): 195.965 MDL Number: MFCD06203322 InChI Key: YZKWFWNYFKBAHO-UHFFFAOYSA-N Synonym: 3-carboxy-4-methoxyphenylboronic acid,5-dihydroxyboranyl-2-methoxybenzoic acid,benzoicacid, 5-borono-2-methoxy-9ci,3-carboxy-4-methoxybenzeneboronic acid,benzoic acid, 5-borono-2-methoxy,acmc-209raw,ksc486i0n,5-dihydroxyboryl-2-methoxybenzoic acid PubChem CID: 44119154 IUPAC Name: 5-borono-2-methoxybenzoic acid SMILES: B(C1=CC(=C(C=C1)OC)C(=O)O)(O)O
| PubChem CID | 44119154 |
|---|---|
| CAS | 913836-12-1 |
| Molecular Weight (g/mol) | 195.965 |
| MDL Number | MFCD06203322 |
| SMILES | B(C1=CC(=C(C=C1)OC)C(=O)O)(O)O |
| Synonym | 3-carboxy-4-methoxyphenylboronic acid,5-dihydroxyboranyl-2-methoxybenzoic acid,benzoicacid, 5-borono-2-methoxy-9ci,3-carboxy-4-methoxybenzeneboronic acid,benzoic acid, 5-borono-2-methoxy,acmc-209raw,ksc486i0n,5-dihydroxyboryl-2-methoxybenzoic acid |
| IUPAC Name | 5-borono-2-methoxybenzoic acid |
| InChI Key | YZKWFWNYFKBAHO-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO5 |
1,2,4-Benzenetricarboxylic anhydride, 97%
CAS: 552-30-7 Molecular Formula: C9H4O5 Molecular Weight (g/mol): 192.126 MDL Number: MFCD00005925 InChI Key: SRPWOOOHEPICQU-UHFFFAOYSA-N Synonym: trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride PubChem CID: 11089 ChEBI: CHEBI:53050 IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
| PubChem CID | 11089 |
|---|---|
| CAS | 552-30-7 |
| Molecular Weight (g/mol) | 192.126 |
| ChEBI | CHEBI:53050 |
| MDL Number | MFCD00005925 |
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
| Synonym | trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride |
| IUPAC Name | 1,3-dioxo-2-benzofuran-5-carboxylic acid |
| InChI Key | SRPWOOOHEPICQU-UHFFFAOYSA-N |
| Molecular Formula | C9H4O5 |
1-Adamantaneacetic acid, 98%
CAS: 4942-47-6 Molecular Formula: C12H17O2 Molecular Weight (g/mol): 193.27 MDL Number: MFCD00074728 InChI Key: AOTQGWFNFTVXNQ-UHFFFAOYSA-M Synonym: 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane PubChem CID: 123221 IUPAC Name: 2-(1-adamantyl)acetic acid SMILES: [O-]C(=O)CC12CC3CC(CC(C3)C1)C2
| PubChem CID | 123221 |
|---|---|
| CAS | 4942-47-6 |
| Molecular Weight (g/mol) | 193.27 |
| MDL Number | MFCD00074728 |
| SMILES | [O-]C(=O)CC12CC3CC(CC(C3)C1)C2 |
| Synonym | 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane |
| IUPAC Name | 2-(1-adamantyl)acetic acid |
| InChI Key | AOTQGWFNFTVXNQ-UHFFFAOYSA-M |
| Molecular Formula | C12H17O2 |
Edetate Disodium, U.S.P., J.T. Baker™
CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 44120005 |
|---|---|
| CAS | 6381-92-6 |
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| Synonym | edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs |
| IUPAC Name | disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
4-Aminoantipyrine, 97%
CAS: 83-07-8 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD00003145 InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N Synonym: 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a PubChem CID: 2151 ChEBI: CHEBI:59026 IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
| PubChem CID | 2151 |
|---|---|
| CAS | 83-07-8 |
| Molecular Weight (g/mol) | 203.245 |
| ChEBI | CHEBI:59026 |
| MDL Number | MFCD00003145 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N |
| Synonym | 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a |
| IUPAC Name | 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3O |
1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate, 99%
CAS: 35193-63-6 Molecular Formula: C20H13O4P Molecular Weight (g/mol): 348.294 MDL Number: MFCD00010045 InChI Key: JEHUZVBIUCAMRZ-UHFFFAOYSA-N Synonym: 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide PubChem CID: 99589 SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O
| PubChem CID | 99589 |
|---|---|
| CAS | 35193-63-6 |
| Molecular Weight (g/mol) | 348.294 |
| MDL Number | MFCD00010045 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O |
| Synonym | 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide |
| InChI Key | JEHUZVBIUCAMRZ-UHFFFAOYSA-N |
| Molecular Formula | C20H13O4P |