Organic acids and derivatives
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Methyl p-Toluate 98.0+%, TCI America™
CAS: 99-75-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 7455 |
|---|---|
| CAS | 99-75-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008441 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate |
| IUPAC Name | methyl 4-methylbenzoate |
| InChI Key | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Cefcapene Pivoxil Hydrochloride Monohydrate 98.0+%, TCI America™
CAS: 147816-24-8 Molecular Formula: C23H30ClN5O8S2 Molecular Weight (g/mol): 604.09 MDL Number: MFCD01682041 InChI Key: ALPFRUJYOAKQQR-CQZSJNSUSA-N PubChem CID: 6918126 IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride SMILES: CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.Cl
| PubChem CID | 6918126 |
|---|---|
| CAS | 147816-24-8 |
| Molecular Weight (g/mol) | 604.09 |
| MDL Number | MFCD01682041 |
| SMILES | CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.Cl |
| IUPAC Name | 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride |
| InChI Key | ALPFRUJYOAKQQR-CQZSJNSUSA-N |
| Molecular Formula | C23H30ClN5O8S2 |
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,N'-Diallyl-L-tartardiamide 98.0+%, TCI America™
CAS: 58477-85-3 Molecular Formula: C10H16N2O4 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00008640 InChI Key: ZRKLEAHGBNDKHM-OCAPTIKFSA-N Synonym: n,n'-diallyltartardiamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-enyl butanediamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-en-1-yl succinamide PubChem CID: 6994946 IUPAC Name: (2R,3S)-2,3-dihydroxy-N,N'-bis(prop-2-en-1-yl)butanediamide SMILES: O[C@@H]([C@@H](O)C(=O)NCC=C)C(=O)NCC=C
| PubChem CID | 6994946 |
|---|---|
| CAS | 58477-85-3 |
| Molecular Weight (g/mol) | 228.25 |
| MDL Number | MFCD00008640 |
| SMILES | O[C@@H]([C@@H](O)C(=O)NCC=C)C(=O)NCC=C |
| Synonym | n,n'-diallyltartardiamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-enyl butanediamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-en-1-yl succinamide |
| IUPAC Name | (2R,3S)-2,3-dihydroxy-N,N'-bis(prop-2-en-1-yl)butanediamide |
| InChI Key | ZRKLEAHGBNDKHM-OCAPTIKFSA-N |
| Molecular Formula | C10H16N2O4 |
Ethyl cis-4,7,10,13,16,19-Docosahexaenoate 97.0+%, TCI America™
CAS: 84494-72-4 Molecular Formula: C24H36O2 Molecular Weight (g/mol): 356.55 MDL Number: MFCD00056293 InChI Key: ITNKVODZACVXDS-UYXIOUCRSA-N Synonym: DHA Ethyl Ester, cis-4,7,10,13,16,19-Docosahexaenoic Acid Ethyl Ester PubChem CID: 71771404 IUPAC Name: ethyl (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC
| PubChem CID | 71771404 |
|---|---|
| CAS | 84494-72-4 |
| Molecular Weight (g/mol) | 356.55 |
| MDL Number | MFCD00056293 |
| SMILES | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC |
| Synonym | DHA Ethyl Ester, cis-4,7,10,13,16,19-Docosahexaenoic Acid Ethyl Ester |
| IUPAC Name | ethyl (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate |
| InChI Key | ITNKVODZACVXDS-UYXIOUCRSA-N |
| Molecular Formula | C24H36O2 |
Dihexyl N,N-Diethylcarbamylmethylenephosphonate 90.0+%, TCI America™
CAS: 7369-66-6 Molecular Formula: C18H38NO4P Molecular Weight (g/mol): 363.48 MDL Number: MFCD00015502 InChI Key: MSULAAVSYZOTHM-UHFFFAOYSA-N Synonym: N,N-Diethylcarbamoylmethylphosphonic Acid Dihexyl Ester, Dihexyl N,N-Diethylcarbamoylmethylphosphonate, DHDECMP PubChem CID: 12865231 IUPAC Name: dihexyl [(diethylcarbamoyl)methyl]phosphonate SMILES: CCCCCCOP(=O)(CC(=O)N(CC)CC)OCCCCCC
| PubChem CID | 12865231 |
|---|---|
| CAS | 7369-66-6 |
| Molecular Weight (g/mol) | 363.48 |
| MDL Number | MFCD00015502 |
| SMILES | CCCCCCOP(=O)(CC(=O)N(CC)CC)OCCCCCC |
| Synonym | N,N-Diethylcarbamoylmethylphosphonic Acid Dihexyl Ester, Dihexyl N,N-Diethylcarbamoylmethylphosphonate, DHDECMP |
| IUPAC Name | dihexyl [(diethylcarbamoyl)methyl]phosphonate |
| InChI Key | MSULAAVSYZOTHM-UHFFFAOYSA-N |
| Molecular Formula | C18H38NO4P |
5-Diazo-2,2-dimethyl-1,3-dioxane-4,6-dione 98.0+%, TCI America™
CAS: 7270-63-5 Molecular Formula: C6H6N2O4 Molecular Weight (g/mol): 170.124 MDL Number: MFCD00059899 InChI Key: YRCVEMYVKSXPLM-UHFFFAOYSA-N Synonym: 5-Diazomeldrum′Cs Acid, Diazomalonic Acid Cyclic Isopropylidine Ester, cycl-Isopropylidene Diazomalonate PubChem CID: 536077 IUPAC Name: 5-diazonio-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate SMILES: CC1(OC(=C(C(=O)O1)[N+]#N)[O-])C
| PubChem CID | 536077 |
|---|---|
| CAS | 7270-63-5 |
| Molecular Weight (g/mol) | 170.124 |
| MDL Number | MFCD00059899 |
| SMILES | CC1(OC(=C(C(=O)O1)[N+]#N)[O-])C |
| Synonym | 5-Diazomeldrum′Cs Acid, Diazomalonic Acid Cyclic Isopropylidine Ester, cycl-Isopropylidene Diazomalonate |
| IUPAC Name | 5-diazonio-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate |
| InChI Key | YRCVEMYVKSXPLM-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O4 |
2,5-Dimethyl-4-hydroxy-3(2H)-furanone (15% in Propylene Glycol, ca. 1.2mol/L), TCI America™
CAS: 3658-77-3 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.127 MDL Number: MFCD00010706 InChI Key: INAXVXBDKKUCGI-UHFFFAOYSA-N Synonym: 4-Hydroxy-2,5-dimethyl-3(2H)-furanone PubChem CID: 19309 ChEBI: CHEBI:76247 IUPAC Name: 4-hydroxy-2,5-dimethylfuran-3-one SMILES: CC1C(=O)C(=C(O1)C)O
| PubChem CID | 19309 |
|---|---|
| CAS | 3658-77-3 |
| Molecular Weight (g/mol) | 128.127 |
| ChEBI | CHEBI:76247 |
| MDL Number | MFCD00010706 |
| SMILES | CC1C(=O)C(=C(O1)C)O |
| Synonym | 4-Hydroxy-2,5-dimethyl-3(2H)-furanone |
| IUPAC Name | 4-hydroxy-2,5-dimethylfuran-3-one |
| InChI Key | INAXVXBDKKUCGI-UHFFFAOYSA-N |
| Molecular Formula | C6H8O3 |
Ethyl trans-2-Decenoate 96.0+%, TCI America™
CAS: 7367-88-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00015299 InChI Key: GNJARWZWODMTDR-ZHACJKMWSA-N Synonym: ethyl trans-2-decenoate,ethyl 2-decenoate,ethyl e-2-decenoate,trans-2-decenoic acid ethyl ester,ethyl 2e-dec-2-enoate,2-decenoic acid, ethyl ester, 2e,unii-b2k05s6l5q,2-decenoic acid, ethyl ester, e,ethyl 2-decenoate, 2e,fema no. 3641 PubChem CID: 5463904 ChEBI: CHEBI:87324 IUPAC Name: ethyl (E)-dec-2-enoate SMILES: CCCCCCCC=CC(=O)OCC
| PubChem CID | 5463904 |
|---|---|
| CAS | 7367-88-6 |
| Molecular Weight (g/mol) | 198.306 |
| ChEBI | CHEBI:87324 |
| MDL Number | MFCD00015299 |
| SMILES | CCCCCCCC=CC(=O)OCC |
| Synonym | ethyl trans-2-decenoate,ethyl 2-decenoate,ethyl e-2-decenoate,trans-2-decenoic acid ethyl ester,ethyl 2e-dec-2-enoate,2-decenoic acid, ethyl ester, 2e,unii-b2k05s6l5q,2-decenoic acid, ethyl ester, e,ethyl 2-decenoate, 2e,fema no. 3641 |
| IUPAC Name | ethyl (E)-dec-2-enoate |
| InChI Key | GNJARWZWODMTDR-ZHACJKMWSA-N |
| Molecular Formula | C12H22O2 |
3,5-Dichlorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 67492-50-6 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.814 MDL Number: MFCD00051935 InChI Key: DKYRKAIKWFHQHM-UHFFFAOYSA-N Synonym: 3,5-dichlorophenyl boronic acid,3,5-dichlorobenzeneboronic acid,3,5-dichlorophenyl boranediol,3,5-dichlophenylboronic acid,3,5-dichloro phenylboronic acid,3,5-dichlorobenzene boronic acid,3,5-dichlorophenyl dihydroxyborane,boronic acid, b-3,5-dichlorophenyl,3,5-dichlorophenylboronicacid PubChem CID: 2734331 IUPAC Name: (3,5-dichlorophenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)Cl)Cl)(O)O
| PubChem CID | 2734331 |
|---|---|
| CAS | 67492-50-6 |
| Molecular Weight (g/mol) | 190.814 |
| MDL Number | MFCD00051935 |
| SMILES | B(C1=CC(=CC(=C1)Cl)Cl)(O)O |
| Synonym | 3,5-dichlorophenyl boronic acid,3,5-dichlorobenzeneboronic acid,3,5-dichlorophenyl boranediol,3,5-dichlophenylboronic acid,3,5-dichloro phenylboronic acid,3,5-dichlorobenzene boronic acid,3,5-dichlorophenyl dihydroxyborane,boronic acid, b-3,5-dichlorophenyl,3,5-dichlorophenylboronicacid |
| IUPAC Name | (3,5-dichlorophenyl)boronic acid |
| InChI Key | DKYRKAIKWFHQHM-UHFFFAOYSA-N |
| Molecular Formula | C6H5BCl2O2 |
Methyl Cyanoacetate 99.0+%, TCI America™
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 |
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 |
Ethyl 4-Cyanocinnamate 98.0+%, TCI America™
CAS: 62174-99-6 Molecular Formula: C12H11NO2 Molecular Weight (g/mol): 201.225 InChI Key: NVLBOCIUMFYPGI-BQYQJAHWSA-N Synonym: 4-Cyanocinnamic Acid Ethyl Ester PubChem CID: 5373497 IUPAC Name: ethyl (E)-3-(4-cyanophenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)C#N
| PubChem CID | 5373497 |
|---|---|
| CAS | 62174-99-6 |
| Molecular Weight (g/mol) | 201.225 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)C#N |
| Synonym | 4-Cyanocinnamic Acid Ethyl Ester |
| IUPAC Name | ethyl (E)-3-(4-cyanophenyl)prop-2-enoate |
| InChI Key | NVLBOCIUMFYPGI-BQYQJAHWSA-N |
| Molecular Formula | C12H11NO2 |
Vinyl Palmitate (stabilized with MEHQ) 96.0+%, TCI America™
CAS: 693-38-9 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.468 MDL Number: MFCD00059288 InChI Key: UJRIYYLGNDXVTA-UHFFFAOYSA-N Synonym: Palmitic Acid Vinyl Ester PubChem CID: 69658 IUPAC Name: ethenyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC=C
| PubChem CID | 69658 |
|---|---|
| CAS | 693-38-9 |
| Molecular Weight (g/mol) | 282.468 |
| MDL Number | MFCD00059288 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC=C |
| Synonym | Palmitic Acid Vinyl Ester |
| IUPAC Name | ethenyl hexadecanoate |
| InChI Key | UJRIYYLGNDXVTA-UHFFFAOYSA-N |
| Molecular Formula | C18H34O2 |
Dibenzyl Phosphate 98.0+%, TCI America™
CAS: 1623-08-1 Molecular Formula: C14H15O4P Molecular Weight (g/mol): 278.244 MDL Number: MFCD00004775 InChI Key: HDFFVHSMHLDSLO-UHFFFAOYSA-N Synonym: dibenzyl phosphate,phosphoric acid dibenzyl ester,dibenzylphosphoric acid,unii-y65r35lz0s,phosphoric acid, bis phenylmethyl ester,dibenzylphosphate,creatine phosphate disodium impurity 4,dibenzyloxyphosphinic acid,dibenzyl-phosphate,pubchem14883 PubChem CID: 74189 IUPAC Name: dibenzyl hydrogen phosphate SMILES: C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2
| PubChem CID | 74189 |
|---|---|
| CAS | 1623-08-1 |
| Molecular Weight (g/mol) | 278.244 |
| MDL Number | MFCD00004775 |
| SMILES | C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2 |
| Synonym | dibenzyl phosphate,phosphoric acid dibenzyl ester,dibenzylphosphoric acid,unii-y65r35lz0s,phosphoric acid, bis phenylmethyl ester,dibenzylphosphate,creatine phosphate disodium impurity 4,dibenzyloxyphosphinic acid,dibenzyl-phosphate,pubchem14883 |
| IUPAC Name | dibenzyl hydrogen phosphate |
| InChI Key | HDFFVHSMHLDSLO-UHFFFAOYSA-N |
| Molecular Formula | C14H15O4P |