Organic acids and derivatives
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Methyl 3,3-Dimethylacrylate 98.0+%, TCI America™
CAS: 924-50-5 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00043940 InChI Key: FZIBCCGGICGWBP-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-butenoate,methyl 3,3-dimethylacrylate,2-butenoic acid, 3-methyl-, methyl ester,3-methyl-but-2-enoic acid methyl ester,methyl senecioate,3,3-dimethylacrylic acid methyl ester,methyl-3,3-dimethylacrylate,crotonic acid, 3-methyl-, methyl ester,methyl-3,3-dimethyl acrylate,methylsenecioate PubChem CID: 13546 IUPAC Name: methyl 3-methylbut-2-enoate SMILES: CC(=CC(=O)OC)C
| PubChem CID | 13546 |
|---|---|
| CAS | 924-50-5 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00043940 |
| SMILES | CC(=CC(=O)OC)C |
| Synonym | methyl 3-methyl-2-butenoate,methyl 3,3-dimethylacrylate,2-butenoic acid, 3-methyl-, methyl ester,3-methyl-but-2-enoic acid methyl ester,methyl senecioate,3,3-dimethylacrylic acid methyl ester,methyl-3,3-dimethylacrylate,crotonic acid, 3-methyl-, methyl ester,methyl-3,3-dimethyl acrylate,methylsenecioate |
| IUPAC Name | methyl 3-methylbut-2-enoate |
| InChI Key | FZIBCCGGICGWBP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Methyl Crotonate 98.0+%, TCI America™
CAS: 623-43-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009287 InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Synonym: methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester PubChem CID: 638132 IUPAC Name: methyl (2E)-but-2-enoate SMILES: COC(=O)\C=C\C
| PubChem CID | 638132 |
|---|---|
| CAS | 623-43-8 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00009287 |
| SMILES | COC(=O)\C=C\C |
| Synonym | methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester |
| IUPAC Name | methyl (2E)-but-2-enoate |
| InChI Key | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
| Molecular Formula | C5H8O2 |
Hydroxypropyl Methacrylate (mixture of 2-Hydroxypropyl and 2-Hydroxy-1-methylethyl Methacrylate) 97.0+%, TCI America™
CAS: 27813-02-1 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00004536 InChI Key: ZMARGGQEAJXRFP-UHFFFAOYNA-N Synonym: 2-hydroxypropyl methacrylate,2-hydroxypropylmethacrylate,hpma,beta-hydroxypropyl methacrylate,acryester hp,2-hydroxypropyl 2-methylacrylate,poly 2-hydroxypropyl methacrylate,2-hydroxypropyl 2-methyl-2-propenoate,2-propenoic acid, 2-methyl-, 2-hydroxypropyl ester,2-hpma PubChem CID: 13539 ChEBI: CHEBI:53440 IUPAC Name: 1-hydroxypropan-2-yl 2-methylprop-2-enoate SMILES: CC(CO)OC(=O)C(C)=C
| PubChem CID | 13539 |
|---|---|
| CAS | 27813-02-1 |
| Molecular Weight (g/mol) | 144.17 |
| ChEBI | CHEBI:53440 |
| MDL Number | MFCD00004536 |
| SMILES | CC(CO)OC(=O)C(C)=C |
| Synonym | 2-hydroxypropyl methacrylate,2-hydroxypropylmethacrylate,hpma,beta-hydroxypropyl methacrylate,acryester hp,2-hydroxypropyl 2-methylacrylate,poly 2-hydroxypropyl methacrylate,2-hydroxypropyl 2-methyl-2-propenoate,2-propenoic acid, 2-methyl-, 2-hydroxypropyl ester,2-hpma |
| IUPAC Name | 1-hydroxypropan-2-yl 2-methylprop-2-enoate |
| InChI Key | ZMARGGQEAJXRFP-UHFFFAOYNA-N |
| Molecular Formula | C7H12O3 |
Methyl o-Anisate 99.0+%, TCI America™
CAS: 606-45-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008423 InChI Key: PFYHAAAQPNMZHO-UHFFFAOYSA-N Synonym: methyl o-anisate,dimethyl salicylate,o-anisic acid, methyl ester,methyl o-methoxybenzoate,o-methoxy methyl benzoate,o-methoxybenzoic acid methyl ester,methylsalicylate methyl ether,2-methoxybenzoic acid methyl ester,benzoic acid, 2-methoxy-, methyl ester,2-methoxybenzoic acid, methyl ester PubChem CID: 61151 IUPAC Name: methyl 2-methoxybenzoate SMILES: COC1=CC=CC=C1C(=O)OC
| PubChem CID | 61151 |
|---|---|
| CAS | 606-45-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00008423 |
| SMILES | COC1=CC=CC=C1C(=O)OC |
| Synonym | methyl o-anisate,dimethyl salicylate,o-anisic acid, methyl ester,methyl o-methoxybenzoate,o-methoxy methyl benzoate,o-methoxybenzoic acid methyl ester,methylsalicylate methyl ether,2-methoxybenzoic acid methyl ester,benzoic acid, 2-methoxy-, methyl ester,2-methoxybenzoic acid, methyl ester |
| IUPAC Name | methyl 2-methoxybenzoate |
| InChI Key | PFYHAAAQPNMZHO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Ethyl 4-Nitrocinnamate 98.0+%, TCI America™
CAS: 953-26-4 Molecular Formula: C11H11NO4 Molecular Weight (g/mol): 221.212 MDL Number: MFCD00007380 InChI Key: PFBQVGXIMLXCQB-VMPITWQZSA-N Synonym: ethyl 4-nitrocinnamate,ethyl p-nitrocinnamate,ethyl 3-4-nitrophenyl acrylate,2-propenoic acid, 3-4-nitrophenyl-, ethyl ester,cinnamic acid, p-nitro-, ethyl ester,ethyl-4-nitrocinnamate,e-ethyl 3-4-nitrophenyl acrylate,propenoic acid, 3-4-nitrophenyl-, ethyl ester,4-nitrozimtsaeure-ethylester,ethyl 2e-3-4-nitrophenyl prop-2-enoate PubChem CID: 1268038 IUPAC Name: ethyl (E)-3-(4-nitrophenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 1268038 |
|---|---|
| CAS | 953-26-4 |
| Molecular Weight (g/mol) | 221.212 |
| MDL Number | MFCD00007380 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl 4-nitrocinnamate,ethyl p-nitrocinnamate,ethyl 3-4-nitrophenyl acrylate,2-propenoic acid, 3-4-nitrophenyl-, ethyl ester,cinnamic acid, p-nitro-, ethyl ester,ethyl-4-nitrocinnamate,e-ethyl 3-4-nitrophenyl acrylate,propenoic acid, 3-4-nitrophenyl-, ethyl ester,4-nitrozimtsaeure-ethylester,ethyl 2e-3-4-nitrophenyl prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(4-nitrophenyl)prop-2-enoate |
| InChI Key | PFBQVGXIMLXCQB-VMPITWQZSA-N |
| Molecular Formula | C11H11NO4 |
Methyl Indole-2-carboxylate 98.0+%, TCI America™
CAS: 1202-04-6 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00460779 InChI Key: NQPIEWBAWBFGOB-UHFFFAOYSA-N Synonym: methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 PubChem CID: 70992 IUPAC Name: methyl 1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 70992 |
|---|---|
| CAS | 1202-04-6 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00460779 |
| SMILES | COC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 |
| IUPAC Name | methyl 1H-indole-2-carboxylate |
| InChI Key | NQPIEWBAWBFGOB-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
N-Carbobenzoxy-D-threonine 98.0+%, TCI America™
CAS: 80384-27-6 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD00037808 InChI Key: IPJUIRDNBFZGQN-WCBMZHEXSA-N Synonym: z-d-thr-oh,z-d-threonine,n-carbobenzoxy-d-threonine,2r,3s-2-benzyloxy carbonyl amino-3-hydroxybutanoic acid,n-benzyloxycarbonyl-d-threonine,n-cbz-d-threonine,d-threonine, n-phenylmethoxy carbonyl,2r,3s-3-hydroxy-2-phenylmethoxycarbonylamino butanoic acid,cbz-d-thr-oh PubChem CID: 853484 IUPAC Name: (2R,3S)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid SMILES: C[C@H](O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 853484 |
|---|---|
| CAS | 80384-27-6 |
| Molecular Weight (g/mol) | 253.25 |
| MDL Number | MFCD00037808 |
| SMILES | C[C@H](O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | z-d-thr-oh,z-d-threonine,n-carbobenzoxy-d-threonine,2r,3s-2-benzyloxy carbonyl amino-3-hydroxybutanoic acid,n-benzyloxycarbonyl-d-threonine,n-cbz-d-threonine,d-threonine, n-phenylmethoxy carbonyl,2r,3s-3-hydroxy-2-phenylmethoxycarbonylamino butanoic acid,cbz-d-thr-oh |
| IUPAC Name | (2R,3S)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid |
| InChI Key | IPJUIRDNBFZGQN-WCBMZHEXSA-N |
| Molecular Formula | C12H15NO5 |
Dibutyl Itaconate (stabilized with HQ) 97.0+%, TCI America™
CAS: 2155-60-4 Molecular Formula: C13H22O4 Molecular Weight (g/mol): 242.315 MDL Number: MFCD00027211 InChI Key: OGVXYCDTRMDYOG-UHFFFAOYSA-N Synonym: Itaconic Acid Dibutyl Ester PubChem CID: 75080 IUPAC Name: dibutyl 2-methylidenebutanedioate SMILES: CCCCOC(=O)CC(=C)C(=O)OCCCC
| PubChem CID | 75080 |
|---|---|
| CAS | 2155-60-4 |
| Molecular Weight (g/mol) | 242.315 |
| MDL Number | MFCD00027211 |
| SMILES | CCCCOC(=O)CC(=C)C(=O)OCCCC |
| Synonym | Itaconic Acid Dibutyl Ester |
| IUPAC Name | dibutyl 2-methylidenebutanedioate |
| InChI Key | OGVXYCDTRMDYOG-UHFFFAOYSA-N |
| Molecular Formula | C13H22O4 |
2-Ethylhexyl Methacrylate (stabilized with MEHQ) 99.0+%, TCI America™
CAS: 688-84-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00009494 InChI Key: WDQMWEYDKDCEHT-UHFFFAOYSA-N Synonym: 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 PubChem CID: 12713 IUPAC Name: 2-ethylhexyl 2-methylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(=C)C
| PubChem CID | 12713 |
|---|---|
| CAS | 688-84-6 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00009494 |
| SMILES | CCCCC(CC)COC(=O)C(=C)C |
| Synonym | 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 |
| IUPAC Name | 2-ethylhexyl 2-methylprop-2-enoate |
| InChI Key | WDQMWEYDKDCEHT-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Methyl 1-Adamantanecarboxylate 98.0+%, TCI America™
CAS: 711-01-3 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD01838519 InChI Key: CLYOOVNORYNXMD-UHFFFAOYSA-N Synonym: 1-Adamantanecarboxylic Acid Methyl Ester PubChem CID: 136553 IUPAC Name: methyl adamantane-1-carboxylate SMILES: COC(=O)C12CC3CC(C1)CC(C3)C2
| PubChem CID | 136553 |
|---|---|
| CAS | 711-01-3 |
| Molecular Weight (g/mol) | 194.274 |
| MDL Number | MFCD01838519 |
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)C2 |
| Synonym | 1-Adamantanecarboxylic Acid Methyl Ester |
| IUPAC Name | methyl adamantane-1-carboxylate |
| InChI Key | CLYOOVNORYNXMD-UHFFFAOYSA-N |
| Molecular Formula | C12H18O2 |
Sodium Glycolate, TCI America™
CAS: 2836-32-0 Molecular Formula: C2H3NaO3 Molecular Weight (g/mol): 98.033 MDL Number: MFCD00065358 InChI Key: VILMUCRZVVVJCA-UHFFFAOYSA-M Synonym: sodium glycolate,sodium hydroxyacetate,sodium 2-hydroxyacetate,sodium lycolate,monosodium glycolate,glycolic acid sodium salt,natriumglykolat,sodium glycollate,acetic acid, hydroxy-, monosodium salt,glycolic acid, monosodium salt PubChem CID: 517347 IUPAC Name: sodium;2-hydroxyacetate SMILES: C(C(=O)[O-])O.[Na+]
| PubChem CID | 517347 |
|---|---|
| CAS | 2836-32-0 |
| Molecular Weight (g/mol) | 98.033 |
| MDL Number | MFCD00065358 |
| SMILES | C(C(=O)[O-])O.[Na+] |
| Synonym | sodium glycolate,sodium hydroxyacetate,sodium 2-hydroxyacetate,sodium lycolate,monosodium glycolate,glycolic acid sodium salt,natriumglykolat,sodium glycollate,acetic acid, hydroxy-, monosodium salt,glycolic acid, monosodium salt |
| IUPAC Name | sodium;2-hydroxyacetate |
| InChI Key | VILMUCRZVVVJCA-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO3 |
Methyl 3,3,3-Trifluoropropionate 98.0+%, TCI America™
CAS: 18830-44-9 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 MDL Number: MFCD02262206 InChI Key: PMGBATZKLCISOD-UHFFFAOYSA-N Synonym: 3,3,3-Trifluoropropionic Acid Methyl Ester PubChem CID: 2782392 IUPAC Name: methyl 3,3,3-trifluoropropanoate SMILES: COC(=O)CC(F)(F)F
| PubChem CID | 2782392 |
|---|---|
| CAS | 18830-44-9 |
| Molecular Weight (g/mol) | 142.077 |
| MDL Number | MFCD02262206 |
| SMILES | COC(=O)CC(F)(F)F |
| Synonym | 3,3,3-Trifluoropropionic Acid Methyl Ester |
| IUPAC Name | methyl 3,3,3-trifluoropropanoate |
| InChI Key | PMGBATZKLCISOD-UHFFFAOYSA-N |
| Molecular Formula | C4H5F3O2 |
Dimethyl D-(-)-Tartrate 98.0+%, TCI America™
CAS: 13171-64-7 Molecular Formula: C6H10O6 Molecular Weight (g/mol): 178.14 MDL Number: MFCD00008445 InChI Key: PVRATXCXJDHJJN-IMJSIDKUSA-N Synonym: dimethyl d-tartrate,--dimethyl d-tartrate,dimethyl d---tartrate,dimethyl 2s,3s-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-, dimethyl ester, 2s,3s,d---tartaric acid dimethyl ester,dl-dimethyl tartrate,dl-dimethyl tartarate,d--dimethyl d-tartrate,meso-tartaric acid, dimethyl ester PubChem CID: 21142 IUPAC Name: dimethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: COC(=O)C(C(C(=O)OC)O)O
| PubChem CID | 21142 |
|---|---|
| CAS | 13171-64-7 |
| Molecular Weight (g/mol) | 178.14 |
| MDL Number | MFCD00008445 |
| SMILES | COC(=O)C(C(C(=O)OC)O)O |
| Synonym | dimethyl d-tartrate,--dimethyl d-tartrate,dimethyl d---tartrate,dimethyl 2s,3s-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-, dimethyl ester, 2s,3s,d---tartaric acid dimethyl ester,dl-dimethyl tartrate,dl-dimethyl tartarate,d--dimethyl d-tartrate,meso-tartaric acid, dimethyl ester |
| IUPAC Name | dimethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | PVRATXCXJDHJJN-IMJSIDKUSA-N |
| Molecular Formula | C6H10O6 |
D-(+)-Malic Acid 98.0+%, TCI America™
CAS: 636-61-3 Molecular Formula: C4H6O5 Molecular Weight (g/mol): 134.09 MDL Number: MFCD00004245 InChI Key: BJEPYKJPYRNKOW-UHFFFAOYNA-N Synonym: d-+-malic acid,d-malic acid,d +-malic acid,r-2-hydroxysuccinic acid,r-malic acid,malic acid, d,2r-2-hydroxybutanedioic acid,l +-malic acid,d-malate PubChem CID: 92824 ChEBI: CHEBI:30796 IUPAC Name: 2-hydroxybutanedioic acid SMILES: OC(CC(O)=O)C(O)=O
| PubChem CID | 92824 |
|---|---|
| CAS | 636-61-3 |
| Molecular Weight (g/mol) | 134.09 |
| ChEBI | CHEBI:30796 |
| MDL Number | MFCD00004245 |
| SMILES | OC(CC(O)=O)C(O)=O |
| Synonym | d-+-malic acid,d-malic acid,d +-malic acid,r-2-hydroxysuccinic acid,r-malic acid,malic acid, d,2r-2-hydroxybutanedioic acid,l +-malic acid,d-malate |
| IUPAC Name | 2-hydroxybutanedioic acid |
| InChI Key | BJEPYKJPYRNKOW-UHFFFAOYNA-N |
| Molecular Formula | C4H6O5 |
N-Carbobenzoxy-L-threonine 98.0+%, TCI America™
CAS: 19728-63-3 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD00065948 InChI Key: IPJUIRDNBFZGQN-SCZZXKLOSA-N Synonym: z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine PubChem CID: 88217 IUPAC Name: (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid SMILES: C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 88217 |
|---|---|
| CAS | 19728-63-3 |
| Molecular Weight (g/mol) | 253.25 |
| MDL Number | MFCD00065948 |
| SMILES | C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine |
| IUPAC Name | (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid |
| InChI Key | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| Molecular Formula | C12H15NO5 |