Carboxylic acids and derivatives
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trans-Ethyl crotonate, 96%
CAS: 623-70-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009289 InChI Key: ZFDIRQKJPRINOQ-HWKANZROSA-N Synonym: ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e PubChem CID: 429065 IUPAC Name: ethyl (E)-but-2-enoate SMILES: CCOC(=O)\C=C\C
| PubChem CID | 429065 |
|---|---|
| CAS | 623-70-1 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00009289 |
| SMILES | CCOC(=O)\C=C\C |
| Synonym | ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e |
| IUPAC Name | ethyl (E)-but-2-enoate |
| InChI Key | ZFDIRQKJPRINOQ-HWKANZROSA-N |
| Molecular Formula | C6H10O2 |
Ethyl propiolate, 99%
CAS: 623-47-2 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00009184 InChI Key: FMVJYQGSRWVMQV-UHFFFAOYSA-N Synonym: ethyl propiolate,ethyl acetylenecarboxylate,2-propynoic acid, ethyl ester,propiolic acid ethyl ester,ethyl propynoate,ethoxycarbonyl acetylene,ethyl 2-propynoate,propiolic acid, ethyl ester,unii-w235g5u52s,propynoic acid ethyl ester PubChem CID: 12182 ChEBI: CHEBI:51740 IUPAC Name: ethyl prop-2-ynoate SMILES: CCOC(=O)C#C
| PubChem CID | 12182 |
|---|---|
| CAS | 623-47-2 |
| Molecular Weight (g/mol) | 98.10 |
| ChEBI | CHEBI:51740 |
| MDL Number | MFCD00009184 |
| SMILES | CCOC(=O)C#C |
| Synonym | ethyl propiolate,ethyl acetylenecarboxylate,2-propynoic acid, ethyl ester,propiolic acid ethyl ester,ethyl propynoate,ethoxycarbonyl acetylene,ethyl 2-propynoate,propiolic acid, ethyl ester,unii-w235g5u52s,propynoic acid ethyl ester |
| IUPAC Name | ethyl prop-2-ynoate |
| InChI Key | FMVJYQGSRWVMQV-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Ethyl 3-(trifluoromethyl)crotonate, (E)+(Z), 96%
CAS: 24490-03-7 Molecular Formula: C7H9F3O2 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00040846 InChI Key: OSZLARYVWBUKTG-SNAWJCMRSA-N Synonym: ethyl 4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate,ethyl 2e-4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate, cis + trans,ethyl e-4,4,4-trifluoro-3-methylbut-2-enoate,e-3-trifluoromethyl-2-butenoic acid ethyl ester PubChem CID: 5838607 IUPAC Name: ethyl (E)-4,4,4-trifluoro-3-methylbut-2-enoate SMILES: CCOC(=O)\C=C(/C)C(F)(F)F
| PubChem CID | 5838607 |
|---|---|
| CAS | 24490-03-7 |
| Molecular Weight (g/mol) | 182.14 |
| MDL Number | MFCD00040846 |
| SMILES | CCOC(=O)\C=C(/C)C(F)(F)F |
| Synonym | ethyl 4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate,ethyl 2e-4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate, cis + trans,ethyl e-4,4,4-trifluoro-3-methylbut-2-enoate,e-3-trifluoromethyl-2-butenoic acid ethyl ester |
| IUPAC Name | ethyl (E)-4,4,4-trifluoro-3-methylbut-2-enoate |
| InChI Key | OSZLARYVWBUKTG-SNAWJCMRSA-N |
| Molecular Formula | C7H9F3O2 |
Methyl Methacrylate, Stabilized with hydroquinone, BAKER™, J.T. Baker™
CAS: 80-62-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 InChI Key: VVQNEPGJFQJSBK-UHFFFAOYSA-N Synonym: methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate PubChem CID: 6658 ChEBI: CHEBI:34840 IUPAC Name: methyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC
| PubChem CID | 6658 |
|---|---|
| CAS | 80-62-6 |
| Molecular Weight (g/mol) | 100.117 |
| ChEBI | CHEBI:34840 |
| SMILES | CC(=C)C(=O)OC |
| Synonym | methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate |
| IUPAC Name | methyl 2-methylprop-2-enoate |
| InChI Key | VVQNEPGJFQJSBK-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Ethyl 4,4,4-trifluorocrotonate, 98%
CAS: 25597-16-4 Molecular Formula: C6H7F3O2 Molecular Weight (g/mol): 168.12 MDL Number: MFCD00009903 InChI Key: ZKRJCMKLCDWROR-ONEGZZNKSA-N Synonym: ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e PubChem CID: 5371261 IUPAC Name: ethyl (E)-4,4,4-trifluorobut-2-enoate SMILES: CCOC(=O)\C=C\C(F)(F)F
| PubChem CID | 5371261 |
|---|---|
| CAS | 25597-16-4 |
| Molecular Weight (g/mol) | 168.12 |
| MDL Number | MFCD00009903 |
| SMILES | CCOC(=O)\C=C\C(F)(F)F |
| Synonym | ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e |
| IUPAC Name | ethyl (E)-4,4,4-trifluorobut-2-enoate |
| InChI Key | ZKRJCMKLCDWROR-ONEGZZNKSA-N |
| Molecular Formula | C6H7F3O2 |
Methyl 3,5-diaminobenzoate, 99%
CAS: 1949-55-9 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00041433 InChI Key: IYWLDOMAEQHKJZ-UHFFFAOYSA-N Synonym: methyl 3,5-diaminobenzenecarboxylate,3,5-diaminobenzoic acid methyl ester,methyldiaminobenzenecarboxylate,3,5-diamino-benzoic acid methyl ester,benzoic acid,3,5-diamino-, methyl ester PubChem CID: 7010431 IUPAC Name: methyl 3,5-diaminobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)N)N
| PubChem CID | 7010431 |
|---|---|
| CAS | 1949-55-9 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00041433 |
| SMILES | COC(=O)C1=CC(=CC(=C1)N)N |
| Synonym | methyl 3,5-diaminobenzenecarboxylate,3,5-diaminobenzoic acid methyl ester,methyldiaminobenzenecarboxylate,3,5-diamino-benzoic acid methyl ester,benzoic acid,3,5-diamino-, methyl ester |
| IUPAC Name | methyl 3,5-diaminobenzoate |
| InChI Key | IYWLDOMAEQHKJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
Methyl (S)-(-)-lactate, 97%
CAS: 27871-49-4 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00064265 InChI Key: LPEKGGXMPWTOCB-VKHMYHEASA-N Synonym: methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester PubChem CID: 94386 ChEBI: CHEBI:83222 IUPAC Name: methyl (2S)-2-hydroxypropanoate SMILES: COC(=O)[C@H](C)O
| PubChem CID | 94386 |
|---|---|
| CAS | 27871-49-4 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:83222 |
| MDL Number | MFCD00064265 |
| SMILES | COC(=O)[C@H](C)O |
| Synonym | methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester |
| IUPAC Name | methyl (2S)-2-hydroxypropanoate |
| InChI Key | LPEKGGXMPWTOCB-VKHMYHEASA-N |
| Molecular Formula | C4H8O3 |
Ethyl phenylpropiolate, 98%
CAS: 2216-94-6 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.2 MDL Number: MFCD00009185 InChI Key: ACJOYTKWHPEIHW-UHFFFAOYSA-N Synonym: ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate PubChem CID: 91516 IUPAC Name: ethyl 3-phenylprop-2-ynoate SMILES: CCOC(=O)C#CC1=CC=CC=C1
| PubChem CID | 91516 |
|---|---|
| CAS | 2216-94-6 |
| Molecular Weight (g/mol) | 174.2 |
| MDL Number | MFCD00009185 |
| SMILES | CCOC(=O)C#CC1=CC=CC=C1 |
| Synonym | ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate |
| IUPAC Name | ethyl 3-phenylprop-2-ynoate |
| InChI Key | ACJOYTKWHPEIHW-UHFFFAOYSA-N |
| Molecular Formula | C11H10O2 |
Methyl 1-cyclohexene-1-carboxylate, 98%
CAS: 18448-47-0 MDL Number: MFCD00001544 InChI Key: KXPWRCPEMHIZGU-UHFFFAOYSA-N Synonym: methyl 1-cyclohexene-1-carboxylate,methyl cyclohex-1-enecarboxylate,methyl 1-cyclohexenecarboxylate,methyl cyclohex-1-ene-1-carboxylate,1-cyclohexene-1-carboxylic acid, methyl ester,cyclohexenecarboxylic acid, methyl ester,cyclohexene-1-carboxylic acid methyl ester,methyl1-cyclohexene-1-carboxylate,pubchem11031,1-carbomethoxy cyclohexene PubChem CID: 87647 IUPAC Name: methyl cyclohexene-1-carboxylate SMILES: COC(=O)C1=CCCCC1
| PubChem CID | 87647 |
|---|---|
| CAS | 18448-47-0 |
| MDL Number | MFCD00001544 |
| SMILES | COC(=O)C1=CCCCC1 |
| Synonym | methyl 1-cyclohexene-1-carboxylate,methyl cyclohex-1-enecarboxylate,methyl 1-cyclohexenecarboxylate,methyl cyclohex-1-ene-1-carboxylate,1-cyclohexene-1-carboxylic acid, methyl ester,cyclohexenecarboxylic acid, methyl ester,cyclohexene-1-carboxylic acid methyl ester,methyl1-cyclohexene-1-carboxylate,pubchem11031,1-carbomethoxy cyclohexene |
| IUPAC Name | methyl cyclohexene-1-carboxylate |
| InChI Key | KXPWRCPEMHIZGU-UHFFFAOYSA-N |
Methyl 2-methylbutyrate, 98%
CAS: 868-57-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009335 InChI Key: OCWLYWIFNDCWRZ-UHFFFAOYNA-N Synonym: methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate PubChem CID: 13357 IUPAC Name: methyl 2-methylbutanoate SMILES: CCC(C)C(=O)OC
| PubChem CID | 13357 |
|---|---|
| CAS | 868-57-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009335 |
| SMILES | CCC(C)C(=O)OC |
| Synonym | methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate |
| IUPAC Name | methyl 2-methylbutanoate |
| InChI Key | OCWLYWIFNDCWRZ-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
Methyl DL-lactate, 99%
CAS: 547-64-8 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 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 |
| Molecular Weight (g/mol) | 104.105 |
| 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 |
| Molecular Formula | C4H8O3 |
Methyl 2-octynoate, 98%
CAS: 111-12-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00009530 InChI Key: FRLZQXRXIKQFNS-UHFFFAOYSA-N Synonym: methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 PubChem CID: 8092 IUPAC Name: methyl oct-2-ynoate SMILES: CCCCCC#CC(=O)OC
| PubChem CID | 8092 |
|---|---|
| CAS | 111-12-6 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00009530 |
| SMILES | CCCCCC#CC(=O)OC |
| Synonym | methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 |
| IUPAC Name | methyl oct-2-ynoate |
| InChI Key | FRLZQXRXIKQFNS-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
Methyl chloroacetate, 99+%
CAS: 96-34-4 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.521 MDL Number: MFCD00000931 InChI Key: QABLOFMHHSOFRJ-UHFFFAOYSA-N Synonym: methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 PubChem CID: 7295 IUPAC Name: methyl 2-chloroacetate SMILES: COC(=O)CCl
| PubChem CID | 7295 |
|---|---|
| CAS | 96-34-4 |
| Molecular Weight (g/mol) | 108.521 |
| MDL Number | MFCD00000931 |
| SMILES | COC(=O)CCl |
| Synonym | methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 |
| IUPAC Name | methyl 2-chloroacetate |
| InChI Key | QABLOFMHHSOFRJ-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO2 |
Methyl 2-oxo-2H-pyran-3-carboxylate, 98%
CAS: 25991-27-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00075443 InChI Key: GJVZWOMUTYNUCE-UHFFFAOYSA-N Synonym: methyl 2-oxo-2h-pyran-3-carboxylate,3-carbomethoxy-2-pyrone,methyl 2-pyrone-3-carboxylate,2-oxo-2h-pyran-3-carboxylic acid methyl ester,2h-pyran-3-carboxylic acid, 2-oxo-, methyl ester,methoxycarbonyl pyranone,acmc-1clg5,ksc496k6b PubChem CID: 117704 IUPAC Name: methyl 2-oxopyran-3-carboxylate SMILES: COC(=O)C1=CC=COC1=O
| PubChem CID | 117704 |
|---|---|
| CAS | 25991-27-9 |
| Molecular Weight (g/mol) | 154.121 |
| MDL Number | MFCD00075443 |
| SMILES | COC(=O)C1=CC=COC1=O |
| Synonym | methyl 2-oxo-2h-pyran-3-carboxylate,3-carbomethoxy-2-pyrone,methyl 2-pyrone-3-carboxylate,2-oxo-2h-pyran-3-carboxylic acid methyl ester,2h-pyran-3-carboxylic acid, 2-oxo-, methyl ester,methoxycarbonyl pyranone,acmc-1clg5,ksc496k6b |
| IUPAC Name | methyl 2-oxopyran-3-carboxylate |
| InChI Key | GJVZWOMUTYNUCE-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Methyl 1H-pyrazole-3-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 15366-34-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00649381 InChI Key: ORUCTBNNYKZMSK-UHFFFAOYSA-N Synonym: methyl 1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid methyl ester,methyl pyrazole-3-carboxylate,2h-pyrazole-3-carboxylic acid methyl ester,3-methoxycarbonylpyrazole,pyrazole-3-carboxylic acid methyl ester,methyl 2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, methyl ester,pubchem14332,5-methoxycarbonylpyrazole PubChem CID: 565662 IUPAC Name: methyl 1H-pyrazole-5-carboxylate SMILES: COC(=O)C1=CC=NN1
| PubChem CID | 565662 |
|---|---|
| CAS | 15366-34-4 |
| Molecular Weight (g/mol) | 126.115 |
| MDL Number | MFCD00649381 |
| SMILES | COC(=O)C1=CC=NN1 |
| Synonym | methyl 1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid methyl ester,methyl pyrazole-3-carboxylate,2h-pyrazole-3-carboxylic acid methyl ester,3-methoxycarbonylpyrazole,pyrazole-3-carboxylic acid methyl ester,methyl 2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, methyl ester,pubchem14332,5-methoxycarbonylpyrazole |
| IUPAC Name | methyl 1H-pyrazole-5-carboxylate |
| InChI Key | ORUCTBNNYKZMSK-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |