Organic acids and derivatives
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2-Methoxybenzeneboronic acid, 97%
CAS: 5720-06-9 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00236047 InChI Key: ROEQGIFOWRQYHD-UHFFFAOYSA-N Synonym: 2-methoxybenzeneboronic acid,2-methoxyphenyl boronic acid,o-methoxyphenylboronic acid,2-methoxyphenyl boranediol,2-boronoanisole,2-methoxypenylboronic acid,o-methoxyphenyl boronic acid,2-methoxy phenylboronic acid,2-methoxybenzene boronic acid PubChem CID: 2733958 IUPAC Name: (2-methoxyphenyl)boronic acid SMILES: COC1=CC=CC=C1B(O)O
| PubChem CID | 2733958 |
|---|---|
| CAS | 5720-06-9 |
| Molecular Weight (g/mol) | 151.96 |
| MDL Number | MFCD00236047 |
| SMILES | COC1=CC=CC=C1B(O)O |
| Synonym | 2-methoxybenzeneboronic acid,2-methoxyphenyl boronic acid,o-methoxyphenylboronic acid,2-methoxyphenyl boranediol,2-boronoanisole,2-methoxypenylboronic acid,o-methoxyphenyl boronic acid,2-methoxy phenylboronic acid,2-methoxybenzene boronic acid |
| IUPAC Name | (2-methoxyphenyl)boronic acid |
| InChI Key | ROEQGIFOWRQYHD-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
Formic acid hydrazide, 90%
CAS: 624-84-0 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.06 MDL Number: MFCD00007589 InChI Key: XZBIXDPGRMLSTC-UHFFFAOYSA-N Synonym: formylhydrazine,formic acid hydrazide,formic hydrazide,hydrazinecarboxaldehyde,formhydrazide,n-formylhydrazine,carbazaldehyde,formylhydrazide,hydrazine, formyl,formal hydrazine PubChem CID: 12229 IUPAC Name: formohydrazide SMILES: C(=O)NN
| PubChem CID | 12229 |
|---|---|
| CAS | 624-84-0 |
| Molecular Weight (g/mol) | 60.06 |
| MDL Number | MFCD00007589 |
| SMILES | C(=O)NN |
| Synonym | formylhydrazine,formic acid hydrazide,formic hydrazide,hydrazinecarboxaldehyde,formhydrazide,n-formylhydrazine,carbazaldehyde,formylhydrazide,hydrazine, formyl,formal hydrazine |
| IUPAC Name | formohydrazide |
| InChI Key | XZBIXDPGRMLSTC-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Propionic acid, ACS reagent
CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O
| PubChem CID | 1032 |
|---|---|
| CAS | 79-09-4 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:30768 |
| SMILES | CCC(=O)O |
| Synonym | propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin |
| IUPAC Name | propanoic acid |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Methyl 3,3-dimethoxypropionate, 99%
CAS: 7424-91-1 Molecular Formula: C6H12O4 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00010650 InChI Key: SMCVPMKCDDNUCQ-UHFFFAOYSA-N Synonym: methyl 3,3-dimethoxypropionate,3,3-dimethoxypropionic acid methyl ester,methyl3,3-dimethoxypropionate,propanoic acid, 3,3-dimethoxy-, methyl ester,zlchem 282,pubchem20228,acmc-1bdjk,ksc490c4j,methyl 3,3-dimethoxy-propanoate,smcvpmkcddnucq-uhfffaoysa PubChem CID: 81924 IUPAC Name: methyl 3,3-dimethoxypropanoate SMILES: COC(CC(=O)OC)OC
| PubChem CID | 81924 |
|---|---|
| CAS | 7424-91-1 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00010650 |
| SMILES | COC(CC(=O)OC)OC |
| Synonym | methyl 3,3-dimethoxypropionate,3,3-dimethoxypropionic acid methyl ester,methyl3,3-dimethoxypropionate,propanoic acid, 3,3-dimethoxy-, methyl ester,zlchem 282,pubchem20228,acmc-1bdjk,ksc490c4j,methyl 3,3-dimethoxy-propanoate,smcvpmkcddnucq-uhfffaoysa |
| IUPAC Name | methyl 3,3-dimethoxypropanoate |
| InChI Key | SMCVPMKCDDNUCQ-UHFFFAOYSA-N |
| Molecular Formula | C6H12O4 |
Ethyl dibromofluoroacetate, 97%
CAS: 565-53-7 Molecular Formula: C4H5Br2FO2 Molecular Weight (g/mol): 263.89 MDL Number: MFCD00042068 InChI Key: COYRDMUQLSIAEX-UHFFFAOYSA-N Synonym: ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate PubChem CID: 2737168 IUPAC Name: ethyl 2,2-dibromo-2-fluoroacetate SMILES: CCOC(=O)C(F)(Br)Br
| PubChem CID | 2737168 |
|---|---|
| CAS | 565-53-7 |
| Molecular Weight (g/mol) | 263.89 |
| MDL Number | MFCD00042068 |
| SMILES | CCOC(=O)C(F)(Br)Br |
| Synonym | ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate |
| IUPAC Name | ethyl 2,2-dibromo-2-fluoroacetate |
| InChI Key | COYRDMUQLSIAEX-UHFFFAOYSA-N |
| Molecular Formula | C4H5Br2FO2 |
Dioctyl sulfosuccinate, sodium salt, 96%
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-ethylhexoxy)-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-ethylhexoxy)-1,4-dioxobutane-2-sulfonate |
| InChI Key | APSBXTVYXVQYAB-UHFFFAOYNA-M |
| Molecular Formula | C20H37NaO7S |
4-Cyanobenzeneboronic acid, 98%
CAS: 126747-14-6 Molecular Formula: C7H6BNO2 Molecular Weight (g/mol): 146.94 MDL Number: MFCD01318968 InChI Key: CEBAHYWORUOILU-UHFFFAOYSA-N Synonym: 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid PubChem CID: 2734326 IUPAC Name: (4-cyanophenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)C#N
| PubChem CID | 2734326 |
|---|---|
| CAS | 126747-14-6 |
| Molecular Weight (g/mol) | 146.94 |
| MDL Number | MFCD01318968 |
| SMILES | OB(O)C1=CC=C(C=C1)C#N |
| Synonym | 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid |
| IUPAC Name | (4-cyanophenyl)boronic acid |
| InChI Key | CEBAHYWORUOILU-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO2 |
Methyl 2-fluoroacrylate, 95%, stab. with 1% BHT
CAS: 2343-89-7 Molecular Formula: C4H5FO2 Molecular Weight (g/mol): 104.08 MDL Number: MFCD04039286 InChI Key: ZTZJVAOTIOAZGZ-UHFFFAOYSA-N Synonym: methyl 2-fluoroacrylate,methyl-2-fluoroacrylate,2-fluoroacrylic acid methyl ester,methyl fluoroacrylate,2-propenoic acid, 2-fluoro-, methyl ester,methyl a-fluoroacrylate,pubchem12658,methyl alpha-fluoroacrylate,acmc-209g3b,ksc493a9d PubChem CID: 2782524 IUPAC Name: methyl 2-fluoroprop-2-enoate SMILES: COC(=O)C(=C)F
| PubChem CID | 2782524 |
|---|---|
| CAS | 2343-89-7 |
| Molecular Weight (g/mol) | 104.08 |
| MDL Number | MFCD04039286 |
| SMILES | COC(=O)C(=C)F |
| Synonym | methyl 2-fluoroacrylate,methyl-2-fluoroacrylate,2-fluoroacrylic acid methyl ester,methyl fluoroacrylate,2-propenoic acid, 2-fluoro-, methyl ester,methyl a-fluoroacrylate,pubchem12658,methyl alpha-fluoroacrylate,acmc-209g3b,ksc493a9d |
| IUPAC Name | methyl 2-fluoroprop-2-enoate |
| InChI Key | ZTZJVAOTIOAZGZ-UHFFFAOYSA-N |
| Molecular Formula | C4H5FO2 |
2,2,2-Trifluoroethyl trifluoroacetate, 97+%, Thermo Scientific Chemicals
CAS: 407-38-5 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00000418 InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F
| PubChem CID | 67888 |
|---|---|
| CAS | 407-38-5 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00000418 |
| SMILES | FC(F)(F)COC(=O)C(F)(F)F |
| Synonym | 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate |
| IUPAC Name | 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate |
| InChI Key | ZKUJOCJJXCPCFS-UHFFFAOYSA-N |
| Molecular Formula | C4H2F6O2 |
1-Phenyl-3-pyrazolidinone, 97%
CAS: 92-43-3 Molecular Formula: C9H10N2O Molecular Weight (g/mol): 162.192 MDL Number: MFCD00003094 InChI Key: CMCWWLVWPDLCRM-UHFFFAOYSA-N Synonym: phenidone,1-phenyl-3-pyrazolidone,fenidon,1-phenyl-3-pyrazolidinone,3-pyrazolidinone, 1-phenyl,1-phenyl-3-oxopyrazolidine,2-pyrazolin-3-ol, 1-phenyl,pyrazolidinone, 1-phenyl,1-phenyl-pyrazolidin-3-one,unii-h0u5612p6k PubChem CID: 7090 IUPAC Name: 1-phenylpyrazolidin-3-one SMILES: C1CN(NC1=O)C2=CC=CC=C2
| PubChem CID | 7090 |
|---|---|
| CAS | 92-43-3 |
| Molecular Weight (g/mol) | 162.192 |
| MDL Number | MFCD00003094 |
| SMILES | C1CN(NC1=O)C2=CC=CC=C2 |
| Synonym | phenidone,1-phenyl-3-pyrazolidone,fenidon,1-phenyl-3-pyrazolidinone,3-pyrazolidinone, 1-phenyl,1-phenyl-3-oxopyrazolidine,2-pyrazolin-3-ol, 1-phenyl,pyrazolidinone, 1-phenyl,1-phenyl-pyrazolidin-3-one,unii-h0u5612p6k |
| IUPAC Name | 1-phenylpyrazolidin-3-one |
| InChI Key | CMCWWLVWPDLCRM-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O |
Methyl dichloroacetate, 99%
CAS: 116-54-1 Molecular Formula: C3H4Cl2O2 Molecular Weight (g/mol): 142.963 MDL Number: MFCD00000843 InChI Key: HKMLRUAPIDAGIE-UHFFFAOYSA-N Synonym: methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 PubChem CID: 8315 IUPAC Name: methyl 2,2-dichloroacetate SMILES: COC(=O)C(Cl)Cl
| PubChem CID | 8315 |
|---|---|
| CAS | 116-54-1 |
| Molecular Weight (g/mol) | 142.963 |
| MDL Number | MFCD00000843 |
| SMILES | COC(=O)C(Cl)Cl |
| Synonym | methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 |
| IUPAC Name | methyl 2,2-dichloroacetate |
| InChI Key | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O2 |
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 5-n-propyl-1H-pyrazole-3-carboxylate, 98%
CAS: 92945-27-2 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 MDL Number: MFCD02093950 InChI Key: SUALHSUMUQQLJP-UHFFFAOYSA-N Synonym: ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester PubChem CID: 7365260 IUPAC Name: ethyl 5-propyl-1H-pyrazole-3-carboxylate SMILES: CCCC1=CC(=NN1)C(=O)OCC
| PubChem CID | 7365260 |
|---|---|
| CAS | 92945-27-2 |
| Molecular Weight (g/mol) | 182.223 |
| MDL Number | MFCD02093950 |
| SMILES | CCCC1=CC(=NN1)C(=O)OCC |
| Synonym | ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester |
| IUPAC Name | ethyl 5-propyl-1H-pyrazole-3-carboxylate |
| InChI Key | SUALHSUMUQQLJP-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2O2 |
n-Propyl decanoate, 98%
CAS: 30673-60-0 Molecular Formula: C13H26O2 Molecular Weight (g/mol): 214.349 MDL Number: MFCD00056329 InChI Key: OVFMRFMJVFDSAA-UHFFFAOYSA-N Synonym: n-propyl decanoate,decanoic acid, propyl ester,propyl caprate,capric acid propyl ester,unii-s0he9grs1w,decanoic acid, propylester,s0he9grs1w,propyl caprate natural,propyl caprate decanoate,n-propyldecanoate PubChem CID: 121739 ChEBI: CHEBI:86973 IUPAC Name: propyl decanoate SMILES: CCCCCCCCCC(=O)OCCC
| PubChem CID | 121739 |
|---|---|
| CAS | 30673-60-0 |
| Molecular Weight (g/mol) | 214.349 |
| ChEBI | CHEBI:86973 |
| MDL Number | MFCD00056329 |
| SMILES | CCCCCCCCCC(=O)OCCC |
| Synonym | n-propyl decanoate,decanoic acid, propyl ester,propyl caprate,capric acid propyl ester,unii-s0he9grs1w,decanoic acid, propylester,s0he9grs1w,propyl caprate natural,propyl caprate decanoate,n-propyldecanoate |
| IUPAC Name | propyl decanoate |
| InChI Key | OVFMRFMJVFDSAA-UHFFFAOYSA-N |
| Molecular Formula | C13H26O2 |
5,6-Dihydro-2H-pyran-2-one, 90%
CAS: 3393-45-1 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00010439 InChI Key: VREFDQNWPNDZEX-UHFFFAOYSA-N Synonym: 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade PubChem CID: 520660 IUPAC Name: 2,3-dihydropyran-6-one SMILES: O=C1CC=CCO1
| PubChem CID | 520660 |
|---|---|
| CAS | 3393-45-1 |
| Molecular Weight (g/mol) | 98.10 |
| MDL Number | MFCD00010439 |
| SMILES | O=C1CC=CCO1 |
| Synonym | 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade |
| IUPAC Name | 2,3-dihydropyran-6-one |
| InChI Key | VREFDQNWPNDZEX-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |