Organic acids and derivatives
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Diethyl 1-Pyrrolidinemethylphosphonate 95.0+%, TCI America™
CAS: 51868-96-3 Molecular Formula: C9H21NO3P Molecular Weight (g/mol): 222.24 MDL Number: MFCD00040516 InChI Key: DOMZGECNJWVKAM-UHFFFAOYSA-O Synonym: 1-Pyrrolidinemethylphosphonic Acid Diethyl Ester PubChem CID: 103998 IUPAC Name: 1-[(diethoxyphosphoryl)methyl]pyrrolidin-1-ium SMILES: CCOP(=O)(C[NH+]1CCCC1)OCC
| PubChem CID | 103998 |
|---|---|
| CAS | 51868-96-3 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00040516 |
| SMILES | CCOP(=O)(C[NH+]1CCCC1)OCC |
| Synonym | 1-Pyrrolidinemethylphosphonic Acid Diethyl Ester |
| IUPAC Name | 1-[(diethoxyphosphoryl)methyl]pyrrolidin-1-ium |
| InChI Key | DOMZGECNJWVKAM-UHFFFAOYSA-O |
| Molecular Formula | C9H21NO3P |
1-Naphthaleneboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 13922-41-3 Molecular Formula: C10H9BO2 Molecular Weight (g/mol): 171.99 MDL Number: MFCD00019722 InChI Key: HUMMCEUVDBVXTQ-UHFFFAOYSA-N PubChem CID: 254532 IUPAC Name: naphthalen-1-ylboronic acid SMILES: B(C1=CC=CC2=CC=CC=C12)(O)O
| PubChem CID | 254532 |
|---|---|
| CAS | 13922-41-3 |
| Molecular Weight (g/mol) | 171.99 |
| MDL Number | MFCD00019722 |
| SMILES | B(C1=CC=CC2=CC=CC=C12)(O)O |
| IUPAC Name | naphthalen-1-ylboronic acid |
| InChI Key | HUMMCEUVDBVXTQ-UHFFFAOYSA-N |
| Molecular Formula | C10H9BO2 |
Ethyl N-Phenylformimidate 98.0+%, TCI America™
CAS: 6780-49-0 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00043655 InChI Key: DRDBNKYFCOLNQO-UHFFFAOYSA-N Synonym: ethyl n-phenylformimidate,ethyl isoformanilide,n-ethoxymethyleneaniline,methanimidic acid, n-phenyl-, ethyl ester,ethyl phenylimidoformate,n-ethoxymethylene aniline,ethyl n-phenylcarboximidate,ethylisoformanilide,e-ethyl n-phenylcarboximidate,ethyl iso-formanilide PubChem CID: 111236 IUPAC Name: ethyl N-phenylcarboximidate SMILES: CCOC=NC1=CC=CC=C1
| PubChem CID | 111236 |
|---|---|
| CAS | 6780-49-0 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00043655 |
| SMILES | CCOC=NC1=CC=CC=C1 |
| Synonym | ethyl n-phenylformimidate,ethyl isoformanilide,n-ethoxymethyleneaniline,methanimidic acid, n-phenyl-, ethyl ester,ethyl phenylimidoformate,n-ethoxymethylene aniline,ethyl n-phenylcarboximidate,ethylisoformanilide,e-ethyl n-phenylcarboximidate,ethyl iso-formanilide |
| IUPAC Name | ethyl N-phenylcarboximidate |
| InChI Key | DRDBNKYFCOLNQO-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Butyl 2-Methylvalerate 98.0+%, TCI America™
CAS: 6297-41-2 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: FMVUGLMJUHFPSJ-UHFFFAOYSA-N Synonym: 2-Methylvaleric Acid Butyl Ester, Butyl 2-Methylpentanoate, 2-Methylpentanoic Acid Butyl Ester PubChem CID: 95539 IUPAC Name: butyl 2-methylpentanoate SMILES: CCCCOC(=O)C(C)CCC
| PubChem CID | 95539 |
|---|---|
| CAS | 6297-41-2 |
| Molecular Weight (g/mol) | 172.268 |
| SMILES | CCCCOC(=O)C(C)CCC |
| Synonym | 2-Methylvaleric Acid Butyl Ester, Butyl 2-Methylpentanoate, 2-Methylpentanoic Acid Butyl Ester |
| IUPAC Name | butyl 2-methylpentanoate |
| InChI Key | FMVUGLMJUHFPSJ-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
2,2,3,3-Tetrafluoropropionic Acid 95.0+%, TCI America™
CAS: 756-09-2 Molecular Formula: C3H2F4O2 Molecular Weight (g/mol): 146.041 MDL Number: MFCD00054686 InChI Key: PXRROZVNOOEPPZ-UHFFFAOYSA-N Synonym: flupropanate,3h-tetrafluoropropionic acid,2,2,3,3-tetrafluoropropionic acid,unii-376ks3j2q6,propanoic acid, 2,2,3,3-tetrafluoro,flupropanate iso,tetrafluoropropionic acid,pxrrozvnooeppz-uhfffaoysa PubChem CID: 69789 ChEBI: CHEBI:82013 IUPAC Name: 2,2,3,3-tetrafluoropropanoic acid SMILES: C(C(C(=O)O)(F)F)(F)F
| PubChem CID | 69789 |
|---|---|
| CAS | 756-09-2 |
| Molecular Weight (g/mol) | 146.041 |
| ChEBI | CHEBI:82013 |
| MDL Number | MFCD00054686 |
| SMILES | C(C(C(=O)O)(F)F)(F)F |
| Synonym | flupropanate,3h-tetrafluoropropionic acid,2,2,3,3-tetrafluoropropionic acid,unii-376ks3j2q6,propanoic acid, 2,2,3,3-tetrafluoro,flupropanate iso,tetrafluoropropionic acid,pxrrozvnooeppz-uhfffaoysa |
| IUPAC Name | 2,2,3,3-tetrafluoropropanoic acid |
| InChI Key | PXRROZVNOOEPPZ-UHFFFAOYSA-N |
| Molecular Formula | C3H2F4O2 |
Methyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 333-27-7 Molecular Formula: C2H3F3O3S Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000409 InChI Key: OIRDBPQYVWXNSJ-UHFFFAOYSA-N Synonym: methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester PubChem CID: 9526 IUPAC Name: methyl trifluoromethanesulfonate SMILES: COS(=O)(=O)C(F)(F)F
| PubChem CID | 9526 |
|---|---|
| CAS | 333-27-7 |
| Molecular Weight (g/mol) | 164.10 |
| MDL Number | MFCD00000409 |
| SMILES | COS(=O)(=O)C(F)(F)F |
| Synonym | methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester |
| IUPAC Name | methyl trifluoromethanesulfonate |
| InChI Key | OIRDBPQYVWXNSJ-UHFFFAOYSA-N |
| Molecular Formula | C2H3F3O3S |
Ethyl 4-[(4-Methoxybenzylidene)amino]cinnamate 98.0+%, TCI America™
CAS: 6421-30-3 Molecular Formula: C19H19NO3 Molecular Weight (g/mol): 309.365 MDL Number: MFCD00059231 InChI Key: FMNNRRPDXZWUAE-KGCZTCBMSA-N Synonym: 4-(p-Anisalamino)cinnamic Acid Ethyl Ester, 4-[(p-Anisylidene)amino]cinnamic Acid Ethyl Ester, Ethyl 4-(p-Anisalamino)cinnamate, Ethyl 4-[(p-Anisylidene)amino]cinnamate, 4-[(4-Methoxybenzylidene)amino]cinnamic Acid Ethyl Ester PubChem CID: 780892 IUPAC Name: ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
| PubChem CID | 780892 |
|---|---|
| CAS | 6421-30-3 |
| Molecular Weight (g/mol) | 309.365 |
| MDL Number | MFCD00059231 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC |
| Synonym | 4-(p-Anisalamino)cinnamic Acid Ethyl Ester, 4-[(p-Anisylidene)amino]cinnamic Acid Ethyl Ester, Ethyl 4-(p-Anisalamino)cinnamate, Ethyl 4-[(p-Anisylidene)amino]cinnamate, 4-[(4-Methoxybenzylidene)amino]cinnamic Acid Ethyl Ester |
| IUPAC Name | ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate |
| InChI Key | FMNNRRPDXZWUAE-KGCZTCBMSA-N |
| Molecular Formula | C19H19NO3 |
Methyl 2-Oxobutyrate 97.0+%, TCI America™
CAS: 3952-66-7 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD03093092 InChI Key: XPIWVCAMONZQCP-UHFFFAOYSA-N Synonym: 2-Oxobutyric Acid Methyl Ester PubChem CID: 545127 IUPAC Name: methyl 2-oxobutanoate SMILES: CCC(=O)C(=O)OC
| PubChem CID | 545127 |
|---|---|
| CAS | 3952-66-7 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD03093092 |
| SMILES | CCC(=O)C(=O)OC |
| Synonym | 2-Oxobutyric Acid Methyl Ester |
| IUPAC Name | methyl 2-oxobutanoate |
| InChI Key | XPIWVCAMONZQCP-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
Methyl Trichloroacetate 96.0+%, TCI America™
CAS: 598-99-2 Molecular Formula: C3H3Cl3O2 Molecular Weight (g/mol): 177.405 MDL Number: MFCD00000794 InChI Key: VHFUHRXYRYWELT-UHFFFAOYSA-N Synonym: Trichloroacetic Acid Methyl Ester PubChem CID: 11739 IUPAC Name: methyl 2,2,2-trichloroacetate SMILES: COC(=O)C(Cl)(Cl)Cl
| PubChem CID | 11739 |
|---|---|
| CAS | 598-99-2 |
| Molecular Weight (g/mol) | 177.405 |
| MDL Number | MFCD00000794 |
| SMILES | COC(=O)C(Cl)(Cl)Cl |
| Synonym | Trichloroacetic Acid Methyl Ester |
| IUPAC Name | methyl 2,2,2-trichloroacetate |
| InChI Key | VHFUHRXYRYWELT-UHFFFAOYSA-N |
| Molecular Formula | C3H3Cl3O2 |
Methyl 3-Methoxyacrylate 95.0+%, TCI America™
CAS: 34846-90-7 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00128206 InChI Key: AUTCCPQKLPMHDN-ONEGZZNKSA-N Synonym: methyl 3-methoxyacrylate,methyl trans-3-methoxyacrylate,methyl 2e-3-methoxyprop-2-enoate,e-methyl 3-methoxyacrylate,3-methoxyacrylic acid methyl ester,methyl-3-methoxyacrylate,2-propenoic acid, 3-methoxy-, methyl ester, 2e,methyl trans-3-methoxy acrylate,e-methyl-3-methoxyacrylate,methyl-trans-3-methoxyacrylate PubChem CID: 5323651 IUPAC Name: methyl (E)-3-methoxyprop-2-enoate SMILES: COC=CC(=O)OC
| PubChem CID | 5323651 |
|---|---|
| CAS | 34846-90-7 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD00128206 |
| SMILES | COC=CC(=O)OC |
| Synonym | methyl 3-methoxyacrylate,methyl trans-3-methoxyacrylate,methyl 2e-3-methoxyprop-2-enoate,e-methyl 3-methoxyacrylate,3-methoxyacrylic acid methyl ester,methyl-3-methoxyacrylate,2-propenoic acid, 3-methoxy-, methyl ester, 2e,methyl trans-3-methoxy acrylate,e-methyl-3-methoxyacrylate,methyl-trans-3-methoxyacrylate |
| IUPAC Name | methyl (E)-3-methoxyprop-2-enoate |
| InChI Key | AUTCCPQKLPMHDN-ONEGZZNKSA-N |
| Molecular Formula | C5H8O3 |
1,3,5-Cyclohexanetricarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 25357-95-3 Molecular Formula: C9H12O6 Molecular Weight (g/mol): 216.189 MDL Number: MFCD00134148 InChI Key: FTHDNRBKSLBLDA-UHFFFAOYSA-N PubChem CID: 349732 IUPAC Name: cyclohexane-1,3,5-tricarboxylic acid SMILES: C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 349732 |
|---|---|
| CAS | 25357-95-3 |
| Molecular Weight (g/mol) | 216.189 |
| MDL Number | MFCD00134148 |
| SMILES | C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,3,5-tricarboxylic acid |
| InChI Key | FTHDNRBKSLBLDA-UHFFFAOYSA-N |
| Molecular Formula | C9H12O6 |
Cyanomethyl Formate 98.0+%, TCI America™
CAS: 150760-95-5 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.06 MDL Number: MFCD00661077 InChI Key: ZFLAEHBSVFWEHW-UHFFFAOYSA-N Synonym: Formic Acid Cyanomethyl Ester PubChem CID: 4205685 IUPAC Name: cyanomethyl formate SMILES: O=COCC#N
| PubChem CID | 4205685 |
|---|---|
| CAS | 150760-95-5 |
| Molecular Weight (g/mol) | 85.06 |
| MDL Number | MFCD00661077 |
| SMILES | O=COCC#N |
| Synonym | Formic Acid Cyanomethyl Ester |
| IUPAC Name | cyanomethyl formate |
| InChI Key | ZFLAEHBSVFWEHW-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO2 |
Ethyl Oxamate 98.0+%, TCI America™
CAS: 617-36-7 Molecular Formula: C4H7NO3 Molecular Weight (g/mol): 117.104 MDL Number: MFCD00008005 InChI Key: RZMZBHSKPLVQCP-UHFFFAOYSA-N Synonym: ethyl oxamate,ethyl carbamoylformate,oxamic acid ethyl ester,ethyl amino oxo acetate,oxamethane,acetic acid, aminooxo-, ethyl ester,ethoxalamide,oxamidic acid ethyl ester,ethoxy carbonyl formamide,oxalic acid, monoethyl ester amide PubChem CID: 69238 IUPAC Name: ethyl 2-amino-2-oxoacetate SMILES: CCOC(=O)C(=O)N
| PubChem CID | 69238 |
|---|---|
| CAS | 617-36-7 |
| Molecular Weight (g/mol) | 117.104 |
| MDL Number | MFCD00008005 |
| SMILES | CCOC(=O)C(=O)N |
| Synonym | ethyl oxamate,ethyl carbamoylformate,oxamic acid ethyl ester,ethyl amino oxo acetate,oxamethane,acetic acid, aminooxo-, ethyl ester,ethoxalamide,oxamidic acid ethyl ester,ethoxy carbonyl formamide,oxalic acid, monoethyl ester amide |
| IUPAC Name | ethyl 2-amino-2-oxoacetate |
| InChI Key | RZMZBHSKPLVQCP-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO3 |
Butyl Oxamate 98.0+%, TCI America™
CAS: 585-28-4 Molecular Formula: C6H11NO3 Molecular Weight (g/mol): 145.158 MDL Number: MFCD00059092 InChI Key: JQOLMUGUXNNIOR-UHFFFAOYSA-N Synonym: Oxamidic Acid Butyl Ester, Oxamic Acid Butyl Ester PubChem CID: 222466 IUPAC Name: butyl 2-amino-2-oxoacetate SMILES: CCCCOC(=O)C(=O)N
| PubChem CID | 222466 |
|---|---|
| CAS | 585-28-4 |
| Molecular Weight (g/mol) | 145.158 |
| MDL Number | MFCD00059092 |
| SMILES | CCCCOC(=O)C(=O)N |
| Synonym | Oxamidic Acid Butyl Ester, Oxamic Acid Butyl Ester |
| IUPAC Name | butyl 2-amino-2-oxoacetate |
| InChI Key | JQOLMUGUXNNIOR-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO3 |
tert-Butyl 2-Bromoisobutyrate 98.0+%, TCI America™
CAS: 23877-12-5 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00051908 InChI Key: IGVNJALYNQVQIT-UHFFFAOYSA-N Synonym: tert-butyl 2-bromoisobutyrate,t-butyl 2-bromo isobutyrate,2-bromoisobutyric acid tert-butylester,tert-butyl 2-bromo-2-methylpropionate,tert-butyl alpha-bromoisobutyrate,t-butyl 2-bromoisobutylate,t-butyl 2-bromoisobutyrate,2-bromoisobutyric acid tert-butyl ester,propanoic acid, 2-bromo-2-methyl-, 1,1-dimethylethyl ester,t-butyl2-bromoisobutyrate PubChem CID: 90290 IUPAC Name: tert-butyl 2-bromo-2-methylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)Br
| PubChem CID | 90290 |
|---|---|
| CAS | 23877-12-5 |
| Molecular Weight (g/mol) | 223.11 |
| MDL Number | MFCD00051908 |
| SMILES | CC(C)(C)OC(=O)C(C)(C)Br |
| Synonym | tert-butyl 2-bromoisobutyrate,t-butyl 2-bromo isobutyrate,2-bromoisobutyric acid tert-butylester,tert-butyl 2-bromo-2-methylpropionate,tert-butyl alpha-bromoisobutyrate,t-butyl 2-bromoisobutylate,t-butyl 2-bromoisobutyrate,2-bromoisobutyric acid tert-butyl ester,propanoic acid, 2-bromo-2-methyl-, 1,1-dimethylethyl ester,t-butyl2-bromoisobutyrate |
| IUPAC Name | tert-butyl 2-bromo-2-methylpropanoate |
| InChI Key | IGVNJALYNQVQIT-UHFFFAOYSA-N |
| Molecular Formula | C8H15BrO2 |