Carboxylic acids and derivatives
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Diallyl maleate, 95%
CAS: 999-21-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00010763 InChI Key: ZPOLOEWJWXZUSP-WAYWQWQTSA-N Synonym: diallyl fumarate,fumaric acid, diallyl ester,unii-k852lk4c5p,2-butenedioic acid e-, di-2-propenyl ester,2-butenedioic acid 2e-, di-2-propenyl ester,butenedioic acid diallyl ester,1,4-bis prop-2-en-1-yl 2e-but-2-enedioate,2-butenedioic acid 2e-, 1,4-di-2-propen-1-yl ester,diallyl malleate,1,4-bis prop-2-en-1-yl but-2-enedioate PubChem CID: 5354266 IUPAC Name: bis(prop-2-enyl) (Z)-but-2-enedioate SMILES: C=CCOC(=O)C=CC(=O)OCC=C
| PubChem CID | 5354266 |
|---|---|
| CAS | 999-21-3 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00010763 |
| SMILES | C=CCOC(=O)C=CC(=O)OCC=C |
| Synonym | diallyl fumarate,fumaric acid, diallyl ester,unii-k852lk4c5p,2-butenedioic acid e-, di-2-propenyl ester,2-butenedioic acid 2e-, di-2-propenyl ester,butenedioic acid diallyl ester,1,4-bis prop-2-en-1-yl 2e-but-2-enedioate,2-butenedioic acid 2e-, 1,4-di-2-propen-1-yl ester,diallyl malleate,1,4-bis prop-2-en-1-yl but-2-enedioate |
| IUPAC Name | bis(prop-2-enyl) (Z)-but-2-enedioate |
| InChI Key | ZPOLOEWJWXZUSP-WAYWQWQTSA-N |
| Molecular Formula | C10H12O4 |
Methyl 2-nonynoate, 98%, Thermo Scientific Chemicals
CAS: 111-80-8 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00009547 InChI Key: NTLJTUMJJWVCTL-UHFFFAOYSA-N Synonym: methyl 2-nonynoate,2-nonynoic acid methyl ester,methyl octine carbonate,methyl octyne carbonate,2-nonynoic acid, methyl ester,methyloctyne carboxylate,methyloctyne carbonate,methyl octin carbonate,octynecarboxylic acid, methyl ester,methyl octynecarboxylate PubChem CID: 8137 ChEBI: CHEBI:51749 IUPAC Name: methyl non-2-ynoate SMILES: CCCCCCC#CC(=O)OC
| PubChem CID | 8137 |
|---|---|
| CAS | 111-80-8 |
| Molecular Weight (g/mol) | 168.236 |
| ChEBI | CHEBI:51749 |
| MDL Number | MFCD00009547 |
| SMILES | CCCCCCC#CC(=O)OC |
| Synonym | methyl 2-nonynoate,2-nonynoic acid methyl ester,methyl octine carbonate,methyl octyne carbonate,2-nonynoic acid, methyl ester,methyloctyne carboxylate,methyloctyne carbonate,methyl octin carbonate,octynecarboxylic acid, methyl ester,methyl octynecarboxylate |
| IUPAC Name | methyl non-2-ynoate |
| InChI Key | NTLJTUMJJWVCTL-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2 |
Dimethyl fumarate, 99%
CAS: 624-49-7 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.13 MDL Number: MFCD00064438 InChI Key: LDCRTTXIJACKKU-ONEGZZNKSA-N Synonym: dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate PubChem CID: 637568 ChEBI: CHEBI:76004 IUPAC Name: dimethyl (E)-but-2-enedioate SMILES: COC(=O)C=CC(=O)OC
| PubChem CID | 637568 |
|---|---|
| CAS | 624-49-7 |
| Molecular Weight (g/mol) | 144.13 |
| ChEBI | CHEBI:76004 |
| MDL Number | MFCD00064438 |
| SMILES | COC(=O)C=CC(=O)OC |
| Synonym | dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate |
| IUPAC Name | dimethyl (E)-but-2-enedioate |
| InChI Key | LDCRTTXIJACKKU-ONEGZZNKSA-N |
| Molecular Formula | C6H8O4 |
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
| PubChem CID | 78365 |
|---|---|
| CAS | 4630-80-2 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00019290 |
| SMILES | COC(=O)C1CCCC1 |
| Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
| IUPAC Name | methyl cyclopentanecarboxylate |
| InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Methyl 3-(2-morpholin-4-ylethoxy)benzoate, 97%, Thermo Scientific™
CAS: 249937-00-6 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.31 MDL Number: MFCD08060518 InChI Key: VOYSHDFODOJUMP-UHFFFAOYSA-N Synonym: methyl 3-2-morpholin-4-ylethoxy benzoate,methyl 3-2-morpholin-4-yl ethoxy benzoate,methyl 3-2-morpholinoethoxy benzoate,methyl 3-2-morpholin4-ylethoxy benzoate,3-2-morpholin-4-yl-ethoxy-benzoic acid methyl ester,benzoic acid,3-2-4-morpholinyl ethoxy-, methyl ester PubChem CID: 7164628 IUPAC Name: methyl 3-(2-morpholin-4-ylethoxy)benzoate SMILES: COC(=O)C1=CC(OCCN2CCOCC2)=CC=C1
| PubChem CID | 7164628 |
|---|---|
| CAS | 249937-00-6 |
| Molecular Weight (g/mol) | 265.31 |
| MDL Number | MFCD08060518 |
| SMILES | COC(=O)C1=CC(OCCN2CCOCC2)=CC=C1 |
| Synonym | methyl 3-2-morpholin-4-ylethoxy benzoate,methyl 3-2-morpholin-4-yl ethoxy benzoate,methyl 3-2-morpholinoethoxy benzoate,methyl 3-2-morpholin4-ylethoxy benzoate,3-2-morpholin-4-yl-ethoxy-benzoic acid methyl ester,benzoic acid,3-2-4-morpholinyl ethoxy-, methyl ester |
| IUPAC Name | methyl 3-(2-morpholin-4-ylethoxy)benzoate |
| InChI Key | VOYSHDFODOJUMP-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO4 |
Methyl 2-bromo-3-fluoropropionate, 97%
CAS: 1537-52-6 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.99 MDL Number: MFCD09800641 InChI Key: BXTYDNLOFHBZFS-UHFFFAOYNA-N Synonym: 2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester PubChem CID: 5271584 IUPAC Name: methyl 2-bromo-3-fluoropropanoate SMILES: COC(=O)C(Br)CF
| PubChem CID | 5271584 |
|---|---|
| CAS | 1537-52-6 |
| Molecular Weight (g/mol) | 184.99 |
| MDL Number | MFCD09800641 |
| SMILES | COC(=O)C(Br)CF |
| Synonym | 2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester |
| IUPAC Name | methyl 2-bromo-3-fluoropropanoate |
| InChI Key | BXTYDNLOFHBZFS-UHFFFAOYNA-N |
| Molecular Formula | C4H6BrFO2 |
Methyl 1-methylpyrrole-2-carboxylate, 99%
CAS: 37619-24-2 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD00052747 InChI Key: APHVGKYWHWFAQV-UHFFFAOYSA-N Synonym: methyl 1-methyl-1h-pyrrole-2-carboxylate,methyl1-methyl-1h-pyrrole-2-carboxylate,1-methyl-1h-pyrrole-2-carboxylic acid methyl ester,methyl 1-methyl-2-pyrrolecarboxylate,1-methylpyrrole-2-carboxylic acid methyl ester,pubchem12438,acmc-209iue,methylmethylpyrrolecarboxylate,2-methoxycarbonyl-1-methylpyrrole,methyl 1-methyl-pyrrole-2-carboxylate PubChem CID: 142178 IUPAC Name: methyl 1-methylpyrrole-2-carboxylate SMILES: CN1C=CC=C1C(=O)OC
| PubChem CID | 142178 |
|---|---|
| CAS | 37619-24-2 |
| Molecular Weight (g/mol) | 139.154 |
| MDL Number | MFCD00052747 |
| SMILES | CN1C=CC=C1C(=O)OC |
| Synonym | methyl 1-methyl-1h-pyrrole-2-carboxylate,methyl1-methyl-1h-pyrrole-2-carboxylate,1-methyl-1h-pyrrole-2-carboxylic acid methyl ester,methyl 1-methyl-2-pyrrolecarboxylate,1-methylpyrrole-2-carboxylic acid methyl ester,pubchem12438,acmc-209iue,methylmethylpyrrolecarboxylate,2-methoxycarbonyl-1-methylpyrrole,methyl 1-methyl-pyrrole-2-carboxylate |
| IUPAC Name | methyl 1-methylpyrrole-2-carboxylate |
| InChI Key | APHVGKYWHWFAQV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2 |
Methyl cyanoacetate, 99%
CAS: 105-34-0 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001939 InChI Key: ANGDWNBGPBMQHW-UHFFFAOYSA-N Synonym: methyl cyanoacetate,cyanoacetic acid methyl ester,methyl cyanoethanoate,acetic acid, cyano-, methyl ester,usaf kf-22,methylester kyseliny kyanoctove,methylcyanoacetate,malonic methyl ester nitrile,acetic acid, 2-cyano-, methyl ester,methyl cyano acetate PubChem CID: 7747 ChEBI: CHEBI:51928 IUPAC Name: methyl 2-cyanoacetate SMILES: COC(=O)CC#N
| PubChem CID | 7747 |
|---|---|
| CAS | 105-34-0 |
| Molecular Weight (g/mol) | 99.09 |
| ChEBI | CHEBI:51928 |
| MDL Number | MFCD00001939 |
| SMILES | COC(=O)CC#N |
| Synonym | methyl cyanoacetate,cyanoacetic acid methyl ester,methyl cyanoethanoate,acetic acid, cyano-, methyl ester,usaf kf-22,methylester kyseliny kyanoctove,methylcyanoacetate,malonic methyl ester nitrile,acetic acid, 2-cyano-, methyl ester,methyl cyano acetate |
| IUPAC Name | methyl 2-cyanoacetate |
| InChI Key | ANGDWNBGPBMQHW-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
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 |
Methyl 3-(4-hydroxyphenyl)propionate, 98%
CAS: 5597-50-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00071577 InChI Key: XRAMJHXWXCMGJM-UHFFFAOYSA-N Synonym: methyl 3-4-hydroxyphenyl propionate,methyl 3-4-hydroxyphenyl propanoate,benzenepropanoic acid, 4-hydroxy-, methyl ester,unii-wat13au7xb,methyl3-4-hydroxyphenyl propionate,wat13au7xb,hydrocinnamic acid, p-hydroxy-, methyl ester,3-4-hydroxyphenyl propionic acid methyl ester,methyl 3-p-hydroxyphenyl propionate,3-4'-hydroxyphenyl-propionic acid-ome PubChem CID: 79706 IUPAC Name: methyl 3-(4-hydroxyphenyl)propanoate SMILES: COC(=O)CCC1=CC=C(C=C1)O
| PubChem CID | 79706 |
|---|---|
| CAS | 5597-50-2 |
| Molecular Weight (g/mol) | 180.2 |
| MDL Number | MFCD00071577 |
| SMILES | COC(=O)CCC1=CC=C(C=C1)O |
| Synonym | methyl 3-4-hydroxyphenyl propionate,methyl 3-4-hydroxyphenyl propanoate,benzenepropanoic acid, 4-hydroxy-, methyl ester,unii-wat13au7xb,methyl3-4-hydroxyphenyl propionate,wat13au7xb,hydrocinnamic acid, p-hydroxy-, methyl ester,3-4-hydroxyphenyl propionic acid methyl ester,methyl 3-p-hydroxyphenyl propionate,3-4'-hydroxyphenyl-propionic acid-ome |
| IUPAC Name | methyl 3-(4-hydroxyphenyl)propanoate |
| InChI Key | XRAMJHXWXCMGJM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Methyl DL-lactate, 99%
CAS: 547-64-8 MDL Number: MFCD00066367 InChI Key: LPEKGGXMPWTOCB-UHFFFAOYSA-N Synonym: methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate PubChem CID: 11040 ChEBI: CHEBI:83221 IUPAC Name: methyl 2-hydroxypropanoate SMILES: CC(C(=O)OC)O
| PubChem CID | 11040 |
|---|---|
| CAS | 547-64-8 |
| ChEBI | CHEBI:83221 |
| MDL Number | MFCD00066367 |
| SMILES | CC(C(=O)OC)O |
| Synonym | methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate |
| IUPAC Name | methyl 2-hydroxypropanoate |
| InChI Key | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
| PubChem CID | 543038 |
|---|---|
| CAS | 13831-03-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| Synonym | tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # |
| IUPAC Name | tert-butyl prop-2-ynoate |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Dimethyl oxalate, 99%
CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC
| PubChem CID | 11120 |
|---|---|
| CAS | 553-90-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:6859 |
| MDL Number | MFCD00008442 |
| SMILES | COC(=O)C(=O)OC |
| Synonym | methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid |
| IUPAC Name | dimethyl oxalate |
| InChI Key | LOMVENUNSWAXEN-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
Methyl 2-chloropropionate, 97%
CAS: 17639-93-9 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.55 MDL Number: MFCD00000863 InChI Key: JLEJCNOTNLZCHQ-UHFFFAOYNA-N Synonym: methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f PubChem CID: 28659 IUPAC Name: methyl 2-chloropropanoate SMILES: COC(=O)C(C)Cl
| PubChem CID | 28659 |
|---|---|
| CAS | 17639-93-9 |
| Molecular Weight (g/mol) | 122.55 |
| MDL Number | MFCD00000863 |
| SMILES | COC(=O)C(C)Cl |
| Synonym | methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f |
| IUPAC Name | methyl 2-chloropropanoate |
| InChI Key | JLEJCNOTNLZCHQ-UHFFFAOYNA-N |
| Molecular Formula | C4H7ClO2 |
Methyl DL-2-bromopropionate, 99%
CAS: 5445-17-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167 MDL Number: MFCD00000143 InChI Key: ACEONLNNWKIPTM-UHFFFAOYSA-N PubChem CID: 95576 IUPAC Name: methyl 2-bromopropanoate SMILES: CC(C(=O)OC)Br
| PubChem CID | 95576 |
|---|---|
| CAS | 5445-17-0 |
| Molecular Weight (g/mol) | 167 |
| MDL Number | MFCD00000143 |
| SMILES | CC(C(=O)OC)Br |
| IUPAC Name | methyl 2-bromopropanoate |
| InChI Key | ACEONLNNWKIPTM-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |