Organic acids and derivatives
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(S)-(-)-2-Bromopropionic Acid 98.0+%, TCI America™
CAS: 32644-15-8 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.975 MDL Number: MFCD00137325 InChI Key: MONMFXREYOKQTI-REOHCLBHSA-N Synonym: s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid PubChem CID: 642232 IUPAC Name: (2S)-2-bromopropanoic acid SMILES: CC(C(=O)O)Br
| PubChem CID | 642232 |
|---|---|
| CAS | 32644-15-8 |
| Molecular Weight (g/mol) | 152.975 |
| MDL Number | MFCD00137325 |
| SMILES | CC(C(=O)O)Br |
| Synonym | s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid |
| IUPAC Name | (2S)-2-bromopropanoic acid |
| InChI Key | MONMFXREYOKQTI-REOHCLBHSA-N |
| Molecular Formula | C3H5BrO2 |
Isobutyl Cyanoacetate 98.0+%, TCI America™
CAS: 13361-31-4 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00044320 InChI Key: HRGQEKKNLHJZGZ-UHFFFAOYSA-N Synonym: isobutyl cyanoacetate,isobutyl 2-cyanoacetate,acetic acid, cyano-, 2-methylpropyl ester,cyanoacetic acid, isobutyl ester,unii-id1wnz1d0s,id1wnz1d0s,cyanoacetic acid isobutyl ester,acetic acid, 2-cyano-, 2-methylpropyl ester,acetic acid, cyano-, isobutyl ester,ibcy PubChem CID: 25918 IUPAC Name: 2-methylpropyl 2-cyanoacetate SMILES: CC(C)COC(=O)CC#N
| PubChem CID | 25918 |
|---|---|
| CAS | 13361-31-4 |
| Molecular Weight (g/mol) | 141.17 |
| MDL Number | MFCD00044320 |
| SMILES | CC(C)COC(=O)CC#N |
| Synonym | isobutyl cyanoacetate,isobutyl 2-cyanoacetate,acetic acid, cyano-, 2-methylpropyl ester,cyanoacetic acid, isobutyl ester,unii-id1wnz1d0s,id1wnz1d0s,cyanoacetic acid isobutyl ester,acetic acid, 2-cyano-, 2-methylpropyl ester,acetic acid, cyano-, isobutyl ester,ibcy |
| IUPAC Name | 2-methylpropyl 2-cyanoacetate |
| InChI Key | HRGQEKKNLHJZGZ-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
2-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 213211-69-9 Molecular Formula: C8H11BO3 MDL Number: MFCD00674027 InChI Key: DGFCTCGCMKEILT-UHFFFAOYSA-N PubChem CID: 2734902 IUPAC Name: (2-ethoxyphenyl)boronic acid
| PubChem CID | 2734902 |
|---|---|
| CAS | 213211-69-9 |
| MDL Number | MFCD00674027 |
| IUPAC Name | (2-ethoxyphenyl)boronic acid |
| InChI Key | DGFCTCGCMKEILT-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO3 |
Ethyl 4-Methyl-2-pyrrolecarboxylate 97.0+%, TCI America™
CAS: 40611-85-6 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00191668 InChI Key: RWFKYBVNHRKZSN-UHFFFAOYSA-N Synonym: 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester PubChem CID: 643361 IUPAC Name: ethyl 4-methyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=CC(C)=CN1
| PubChem CID | 643361 |
|---|---|
| CAS | 40611-85-6 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00191668 |
| SMILES | CCOC(=O)C1=CC(C)=CN1 |
| Synonym | 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-methyl-1H-pyrrole-2-carboxylate |
| InChI Key | RWFKYBVNHRKZSN-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
(-)-Di-p-toluoyl-L-tartaric Acid 98.0+%, TCI America™
CAS: 32634-66-5 Molecular Formula: C20H18O8 Molecular Weight (g/mol): 386.36 MDL Number: MFCD00064440 InChI Key: CMIBUZBMZCBCAT-IYBDPMFKSA-N Synonym: 2r,3r-2,3-bis 4-methylbenzoyl oxy succinic acid,di-p-toluoyl-l-tartaric acid,l-dtta,--di-p-toluoyl-l-tartaric acid,--di-1,4-o-toluoyl-l-tartaric acid,--o,o'-di-p-toluoyl-l-tartaric acid,l---di-p-toluoyltartaric acid,2r,3r-2,3-bis 4-methylbenzoyloxy butanedioic acid,2r,3r-2,3-bis 4-methylbenzoyl oxy butanedioic acid,butanedioicacid, 2,3-bis 4-methylbenzoyl oxy-, 2r,3r PubChem CID: 12297760 IUPAC Name: (2R,3S)-2,3-bis(4-methylbenzoyloxy)butanedioic acid SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](OC(=O)C1=CC=C(C)C=C1)C(O)=O)C(O)=O
| PubChem CID | 12297760 |
|---|---|
| CAS | 32634-66-5 |
| Molecular Weight (g/mol) | 386.36 |
| MDL Number | MFCD00064440 |
| SMILES | CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](OC(=O)C1=CC=C(C)C=C1)C(O)=O)C(O)=O |
| Synonym | 2r,3r-2,3-bis 4-methylbenzoyl oxy succinic acid,di-p-toluoyl-l-tartaric acid,l-dtta,--di-p-toluoyl-l-tartaric acid,--di-1,4-o-toluoyl-l-tartaric acid,--o,o'-di-p-toluoyl-l-tartaric acid,l---di-p-toluoyltartaric acid,2r,3r-2,3-bis 4-methylbenzoyloxy butanedioic acid,2r,3r-2,3-bis 4-methylbenzoyl oxy butanedioic acid,butanedioicacid, 2,3-bis 4-methylbenzoyl oxy-, 2r,3r |
| IUPAC Name | (2R,3S)-2,3-bis(4-methylbenzoyloxy)butanedioic acid |
| InChI Key | CMIBUZBMZCBCAT-IYBDPMFKSA-N |
| Molecular Formula | C20H18O8 |
Ethyl 1H-Tetrazole-5-acetate 98.0+%, TCI America™
CAS: 13616-37-0 Molecular Formula: C5H8N4O2 Molecular Weight (g/mol): 156.145 MDL Number: MFCD00274213 InChI Key: NAOHMNNTUFFTBF-UHFFFAOYSA-N Synonym: 1H-Tetrazole-5-acetic Acid Ethyl Ester PubChem CID: 543616 IUPAC Name: ethyl 2-(2H-tetrazol-5-yl)acetate SMILES: CCOC(=O)CC1=NNN=N1
| PubChem CID | 543616 |
|---|---|
| CAS | 13616-37-0 |
| Molecular Weight (g/mol) | 156.145 |
| MDL Number | MFCD00274213 |
| SMILES | CCOC(=O)CC1=NNN=N1 |
| Synonym | 1H-Tetrazole-5-acetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-(2H-tetrazol-5-yl)acetate |
| InChI Key | NAOHMNNTUFFTBF-UHFFFAOYSA-N |
| Molecular Formula | C5H8N4O2 |
Sodium 4-Ethylbenzenesulfonate 98.0+%, TCI America™
CAS: 14995-38-1 Molecular Formula: C8H9NaO3S Molecular Weight (g/mol): 208.21 MDL Number: MFCD00070568 InChI Key: LLELGQVCQVOGMA-UHFFFAOYSA-M Synonym: 4-Ethylbenzenesulfonic Acid Sodium Salt PubChem CID: 23675352 IUPAC Name: sodium 4-ethylbenzene-1-sulfonate SMILES: [Na+].CCC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 23675352 |
|---|---|
| CAS | 14995-38-1 |
| Molecular Weight (g/mol) | 208.21 |
| MDL Number | MFCD00070568 |
| SMILES | [Na+].CCC1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | 4-Ethylbenzenesulfonic Acid Sodium Salt |
| IUPAC Name | sodium 4-ethylbenzene-1-sulfonate |
| InChI Key | LLELGQVCQVOGMA-UHFFFAOYSA-M |
| Molecular Formula | C8H9NaO3S |
4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane 97.0+%, TCI America™
CAS: 338998-93-9 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.06 MDL Number: MFCD03094689 InChI Key: FNPZFZKLYGWKLH-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-5-methylfuran-2-yl-1,3,2-dioxaborolane,5-methylfuran-2-boronic acid pinacol ester,2-methylfurane-5-boronic acid pinacol ester,2-methylfuran-5-boronic acid pinacol ester,2-methyl-furyl-5-pinacolato boron,5-methyl-2-furanboronic acid pinacol ester,4,4,5,5-tetramethyl-2-5-methyl-2-furyl-1,3,2-dioxaborolane,5-methyl-2-4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl furan,4,4,5,5-tetramethyl-2-5-methyl-2-furanyl-1,3,2-dioxaborolane,5-methylfuran-2-yl boronic acid pinacol ester PubChem CID: 2736881 IUPAC Name: 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane SMILES: CC1=CC=C(O1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2736881 |
|---|---|
| CAS | 338998-93-9 |
| Molecular Weight (g/mol) | 208.06 |
| MDL Number | MFCD03094689 |
| SMILES | CC1=CC=C(O1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 4,4,5,5-tetramethyl-2-5-methylfuran-2-yl-1,3,2-dioxaborolane,5-methylfuran-2-boronic acid pinacol ester,2-methylfurane-5-boronic acid pinacol ester,2-methylfuran-5-boronic acid pinacol ester,2-methyl-furyl-5-pinacolato boron,5-methyl-2-furanboronic acid pinacol ester,4,4,5,5-tetramethyl-2-5-methyl-2-furyl-1,3,2-dioxaborolane,5-methyl-2-4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl furan,4,4,5,5-tetramethyl-2-5-methyl-2-furanyl-1,3,2-dioxaborolane,5-methylfuran-2-yl boronic acid pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane |
| InChI Key | FNPZFZKLYGWKLH-UHFFFAOYSA-N |
| Molecular Formula | C11H17BO3 |
Ethyl 3-Methylvalerate 98.0+%, TCI America™
CAS: 5870-68-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00041390 InChI Key: TXAWGHYFBQBVNK-UHFFFAOYSA-N Synonym: ethyl 3-methylvalerate,pentanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylvalerate,valeric acid, 3-methyl-, ethyl ester,3-methylvaleric acid ethyl ester,3-methylpentanoic acid, ethyl ester,fema no. 3679,ethyl 3-methyl valerate,ethyl 3-methyl pentanoate PubChem CID: 560255 IUPAC Name: ethyl 3-methylpentanoate SMILES: CCC(C)CC(=O)OCC
| PubChem CID | 560255 |
|---|---|
| CAS | 5870-68-8 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00041390 |
| SMILES | CCC(C)CC(=O)OCC |
| Synonym | ethyl 3-methylvalerate,pentanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylvalerate,valeric acid, 3-methyl-, ethyl ester,3-methylvaleric acid ethyl ester,3-methylpentanoic acid, ethyl ester,fema no. 3679,ethyl 3-methyl valerate,ethyl 3-methyl pentanoate |
| IUPAC Name | ethyl 3-methylpentanoate |
| InChI Key | TXAWGHYFBQBVNK-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Diethyl (2-Methylbenzyl)phosphonate 98.0+%, TCI America™
CAS: 62778-16-9 Molecular Formula: C12H19O3P Molecular Weight (g/mol): 242.255 InChI Key: SAVIMLRIKAZZCZ-UHFFFAOYSA-N Synonym: 2-(Diethylphosphonomethyl)toluene, (2-Methylbenzyl)phosphonic Acid Diethyl Ester PubChem CID: 112945 IUPAC Name: 1-(diethoxyphosphorylmethyl)-2-methylbenzene SMILES: CCOP(=O)(CC1=CC=CC=C1C)OCC
| PubChem CID | 112945 |
|---|---|
| CAS | 62778-16-9 |
| Molecular Weight (g/mol) | 242.255 |
| SMILES | CCOP(=O)(CC1=CC=CC=C1C)OCC |
| Synonym | 2-(Diethylphosphonomethyl)toluene, (2-Methylbenzyl)phosphonic Acid Diethyl Ester |
| IUPAC Name | 1-(diethoxyphosphorylmethyl)-2-methylbenzene |
| InChI Key | SAVIMLRIKAZZCZ-UHFFFAOYSA-N |
| Molecular Formula | C12H19O3P |
Methyl 3-Methylthiophene-2-carboxylate 97.0+%, TCI America™
CAS: 81452-54-2 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00234332 InChI Key: BRWROFVPMUPMJQ-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b PubChem CID: 580757 IUPAC Name: methyl 3-methylthiophene-2-carboxylate SMILES: COC(=O)C1=C(C)C=CS1
| PubChem CID | 580757 |
|---|---|
| CAS | 81452-54-2 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00234332 |
| SMILES | COC(=O)C1=C(C)C=CS1 |
| Synonym | methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b |
| IUPAC Name | methyl 3-methylthiophene-2-carboxylate |
| InChI Key | BRWROFVPMUPMJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
(R)-(+)-2-Bromopropionic Acid 98.0+%, TCI America™
CAS: 10009-70-8 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.975 MDL Number: MFCD00145205 InChI Key: MONMFXREYOKQTI-UWTATZPHSA-N PubChem CID: 6992152 IUPAC Name: (2R)-2-bromopropanoic acid SMILES: CC(C(=O)O)Br
| PubChem CID | 6992152 |
|---|---|
| CAS | 10009-70-8 |
| Molecular Weight (g/mol) | 152.975 |
| MDL Number | MFCD00145205 |
| SMILES | CC(C(=O)O)Br |
| IUPAC Name | (2R)-2-bromopropanoic acid |
| InChI Key | MONMFXREYOKQTI-UWTATZPHSA-N |
| Molecular Formula | C3H5BrO2 |
Tetraisopropyl Methylenediphosphonate 97.0+%, TCI America™
CAS: 1660-95-3 Molecular Formula: C13H30O6P2 Molecular Weight (g/mol): 344.325 MDL Number: MFCD00015021 InChI Key: ODTQUKVFOLFLIQ-UHFFFAOYSA-N Synonym: tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847 PubChem CID: 74266 IUPAC Name: 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane SMILES: CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
| PubChem CID | 74266 |
|---|---|
| CAS | 1660-95-3 |
| Molecular Weight (g/mol) | 344.325 |
| MDL Number | MFCD00015021 |
| SMILES | CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C |
| Synonym | tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847 |
| IUPAC Name | 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane |
| InChI Key | ODTQUKVFOLFLIQ-UHFFFAOYSA-N |
| Molecular Formula | C13H30O6P2 |
Ethyl Trichloroacetate 97.0+%, TCI America™
CAS: 515-84-4 Molecular Formula: C4H5Cl3O2 Molecular Weight (g/mol): 191.43 MDL Number: MFCD00000795 InChI Key: SJMLNDPIJZBEKY-UHFFFAOYSA-N Synonym: ethyl trichloroacetate,acetic acid, trichloro-, ethyl ester,unii-br8fkn5z55,acetic acid, ester with trichloroethanol,ethyltrichloroacetate,br8fkn5z55,acetic acid, 2,2,2-trichloro-, ethyl ester,acmc-209kup,ethyl-2,2,2-trichloroacetate PubChem CID: 10588 IUPAC Name: ethyl 2,2,2-trichloroacetate SMILES: CCOC(=O)C(Cl)(Cl)Cl
| PubChem CID | 10588 |
|---|---|
| CAS | 515-84-4 |
| Molecular Weight (g/mol) | 191.43 |
| MDL Number | MFCD00000795 |
| SMILES | CCOC(=O)C(Cl)(Cl)Cl |
| Synonym | ethyl trichloroacetate,acetic acid, trichloro-, ethyl ester,unii-br8fkn5z55,acetic acid, ester with trichloroethanol,ethyltrichloroacetate,br8fkn5z55,acetic acid, 2,2,2-trichloro-, ethyl ester,acmc-209kup,ethyl-2,2,2-trichloroacetate |
| IUPAC Name | ethyl 2,2,2-trichloroacetate |
| InChI Key | SJMLNDPIJZBEKY-UHFFFAOYSA-N |
| Molecular Formula | C4H5Cl3O2 |
Methyl L-(-)-Lactate 98.0+%, TCI America™
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 |