Organic acids and derivatives
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Trimethyl Trimellitate 95.0+%, TCI America™
CAS: 10-1-2459 Molecular Formula: C12H12O6 Molecular Weight (g/mol): 252.22 MDL Number: MFCD00043629 InChI Key: MJHNUUNSCNRGJE-UHFFFAOYSA-N Synonym: trimethyl trimellitate,trimethyl 1,2,4-benzenetricarboxylate,methyl trimellitate,trimellitic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, trimethyl ester,unii-16o7dt5n66,1,2,4-benzenetricarboxylic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, 1,2,4-trimethyl ester,1,2,4-trimethyl benzene-1,2,4-tricarboxylate,acmc-1ckkm PubChem CID: 17159 IUPAC Name: trimethyl benzene-1,2,4-tricarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC
| PubChem CID | 17159 |
|---|---|
| CAS | 10-1-2459 |
| Molecular Weight (g/mol) | 252.22 |
| MDL Number | MFCD00043629 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| Synonym | trimethyl trimellitate,trimethyl 1,2,4-benzenetricarboxylate,methyl trimellitate,trimellitic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, trimethyl ester,unii-16o7dt5n66,1,2,4-benzenetricarboxylic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, 1,2,4-trimethyl ester,1,2,4-trimethyl benzene-1,2,4-tricarboxylate,acmc-1ckkm |
| IUPAC Name | trimethyl benzene-1,2,4-tricarboxylate |
| InChI Key | MJHNUUNSCNRGJE-UHFFFAOYSA-N |
| Molecular Formula | C12H12O6 |
Propylene Carbonate 98.0+%, TCI America™
CAS: 108-32-7 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00005385,MFCD00798264,MFCD00798265 InChI Key: RUOJZAUFBMNUDX-UHFFFAOYNA-N Synonym: propylene carbonate,1,2-propylene carbonate,1,2-propanediol cyclic carbonate,texacar pc,1,3-dioxolan-2-one, 4-methyl,cyclic propylene carbonate,arconate 5000,1,2-propanediol carbonate,1-methylethylene carbonate,cyclic 1,2-propylene carbonate PubChem CID: 7924 IUPAC Name: 4-methyl-1,3-dioxolan-2-one SMILES: CC1COC(=O)O1
| PubChem CID | 7924 |
|---|---|
| CAS | 108-32-7 |
| Molecular Weight (g/mol) | 102.09 |
| MDL Number | MFCD00005385,MFCD00798264,MFCD00798265 |
| SMILES | CC1COC(=O)O1 |
| Synonym | propylene carbonate,1,2-propylene carbonate,1,2-propanediol cyclic carbonate,texacar pc,1,3-dioxolan-2-one, 4-methyl,cyclic propylene carbonate,arconate 5000,1,2-propanediol carbonate,1-methylethylene carbonate,cyclic 1,2-propylene carbonate |
| IUPAC Name | 4-methyl-1,3-dioxolan-2-one |
| InChI Key | RUOJZAUFBMNUDX-UHFFFAOYNA-N |
| Molecular Formula | C4H6O3 |
2-Carboxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 149105-19-1 Molecular Formula: C7H7BO4 MDL Number: MFCD01318118 InChI Key: KWNPRVWFJOSGMZ-UHFFFAOYSA-N PubChem CID: 2733985
| PubChem CID | 2733985 |
|---|---|
| CAS | 149105-19-1 |
| MDL Number | MFCD01318118 |
| InChI Key | KWNPRVWFJOSGMZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 149809-43-8 Molecular Formula: C21H21F2N3O4S Molecular Weight (g/mol): 449.473 MDL Number: MFCD13195567 InChI Key: DFWVLCJRFGIRAK-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester PubChem CID: 73090135 IUPAC Name: [5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F
| PubChem CID | 73090135 |
|---|---|
| CAS | 149809-43-8 |
| Molecular Weight (g/mol) | 449.473 |
| MDL Number | MFCD13195567 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F |
| Synonym | p-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester |
| IUPAC Name | [5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate |
| InChI Key | DFWVLCJRFGIRAK-UHFFFAOYSA-N |
| Molecular Formula | C21H21F2N3O4S |
Pyridinium 3-Nitrobenzenesulfonate 98.0+%, TCI America™
CAS: 84752-61-4 Molecular Formula: C11H10N2O5S Molecular Weight (g/mol): 282.27 MDL Number: MFCD00060234 InChI Key: WZZFZXZRKPNZOC-UHFFFAOYSA-N PubChem CID: 16211770 IUPAC Name: 3-nitrobenzenesulfonate;pyridin-1-ium SMILES: C1=CC=[NH+]C=C1.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]
| PubChem CID | 16211770 |
|---|---|
| CAS | 84752-61-4 |
| Molecular Weight (g/mol) | 282.27 |
| MDL Number | MFCD00060234 |
| SMILES | C1=CC=[NH+]C=C1.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-] |
| IUPAC Name | 3-nitrobenzenesulfonate;pyridin-1-ium |
| InChI Key | WZZFZXZRKPNZOC-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O5S |
S-Propyl Thioacetate 98.0+%, TCI America™
CAS: 2307-10-0 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD00039937 InChI Key: SBWFWBJCYMBZEY-UHFFFAOYSA-N Synonym: s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385 PubChem CID: 61295 IUPAC Name: 1-(propylsulfanyl)ethan-1-one SMILES: CCCSC(C)=O
| PubChem CID | 61295 |
|---|---|
| CAS | 2307-10-0 |
| Molecular Weight (g/mol) | 118.19 |
| MDL Number | MFCD00039937 |
| SMILES | CCCSC(C)=O |
| Synonym | s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385 |
| IUPAC Name | 1-(propylsulfanyl)ethan-1-one |
| InChI Key | SBWFWBJCYMBZEY-UHFFFAOYSA-N |
| Molecular Formula | C5H10OS |
2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 90.0+%, TCI America™
CAS: 166330-03-6 Molecular Formula: C7H14BBrO2 Molecular Weight (g/mol): 220.90 MDL Number: MFCD09271779 InChI Key: KBGMAXNDJAGTDD-UHFFFAOYSA-N Synonym: (Bromomethyl)boronic Acid Pinacol Ester PubChem CID: 10955110 IUPAC Name: 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CBr)OC1(C)C
| PubChem CID | 10955110 |
|---|---|
| CAS | 166330-03-6 |
| Molecular Weight (g/mol) | 220.90 |
| MDL Number | MFCD09271779 |
| SMILES | CC1(C)OB(CBr)OC1(C)C |
| Synonym | (Bromomethyl)boronic Acid Pinacol Ester |
| IUPAC Name | 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | KBGMAXNDJAGTDD-UHFFFAOYSA-N |
| Molecular Formula | C7H14BBrO2 |
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium Tetrafluoroborate 98.0+%, TCI America™
CAS: 136849-72-4 Molecular Formula: C10H17BF4N4O3 Molecular Weight (g/mol): 328.07 MDL Number: MFCD00192127 MFCD00192127 InChI Key: FPQVGDGSRVMNMR-UHFFFAOYSA-N Synonym: totu,o-cyano ethoxycarbonyl methylenamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino n,n,n',n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n',n'-tetra methyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium bf4,e-2-1-cyano-2-ethoxy-2-oxoethylideneamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n'n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyl uronium tetrafluoroborate,o-ethoxycarboxyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium tetrafluoroborate PubChem CID: 9601231 IUPAC Name: ethyl cyano({[(dimethylamino)(dimethyliminiumyl)methoxy]imino})formate; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CCOC(=O)C(=NOC(N(C)C)=[N+](C)C)C#N
| PubChem CID | 9601231 |
|---|---|
| CAS | 136849-72-4 |
| Molecular Weight (g/mol) | 328.07 |
| MDL Number | MFCD00192127 MFCD00192127 |
| SMILES | F[B-](F)(F)F.CCOC(=O)C(=NOC(N(C)C)=[N+](C)C)C#N |
| Synonym | totu,o-cyano ethoxycarbonyl methylenamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino n,n,n',n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n',n'-tetra methyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium bf4,e-2-1-cyano-2-ethoxy-2-oxoethylideneamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n'n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyl uronium tetrafluoroborate,o-ethoxycarboxyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium tetrafluoroborate |
| IUPAC Name | ethyl cyano({[(dimethylamino)(dimethyliminiumyl)methoxy]imino})formate; tetrafluoroboranuide |
| InChI Key | FPQVGDGSRVMNMR-UHFFFAOYSA-N |
| Molecular Formula | C10H17BF4N4O3 |
Ethyl Indole-3-carboxylate 97.0+%, TCI America™
CAS: 776-41-0 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD00228454 InChI Key: XOUHVMVYFOXTMN-UHFFFAOYSA-N Synonym: ethyl indole-3-carboxylate,indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid, ethyl ester,indole3carboxylicacidethylester,pubchem7352,lindole-3-ethyl formate,3-ethoxycarbonyl indole,ksc644o3d,3-indolecarboxylicacidethylester PubChem CID: 247965 IUPAC Name: ethyl 1H-indole-3-carboxylate SMILES: CCOC(=O)C1=CNC2=CC=CC=C21
| PubChem CID | 247965 |
|---|---|
| CAS | 776-41-0 |
| Molecular Weight (g/mol) | 189.214 |
| MDL Number | MFCD00228454 |
| SMILES | CCOC(=O)C1=CNC2=CC=CC=C21 |
| Synonym | ethyl indole-3-carboxylate,indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid, ethyl ester,indole3carboxylicacidethylester,pubchem7352,lindole-3-ethyl formate,3-ethoxycarbonyl indole,ksc644o3d,3-indolecarboxylicacidethylester |
| IUPAC Name | ethyl 1H-indole-3-carboxylate |
| InChI Key | XOUHVMVYFOXTMN-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
2-Ethylhexyl Acetate 98.0+%, TCI America™
CAS: 103-09-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00027249 InChI Key: WOYWLLHHWAMFCB-UHFFFAOYNA-N Synonym: acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove PubChem CID: 7635 ChEBI: CHEBI:87392 IUPAC Name: 2-ethylhexyl acetate SMILES: CCCCC(CC)COC(C)=O
| PubChem CID | 7635 |
|---|---|
| CAS | 103-09-3 |
| Molecular Weight (g/mol) | 172.27 |
| ChEBI | CHEBI:87392 |
| MDL Number | MFCD00027249 |
| SMILES | CCCCC(CC)COC(C)=O |
| Synonym | acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove |
| IUPAC Name | 2-ethylhexyl acetate |
| InChI Key | WOYWLLHHWAMFCB-UHFFFAOYNA-N |
| Molecular Formula | C10H20O2 |
2-(Methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 374538-03-1 Molecular Formula: C8H9BO4 Molecular Weight (g/mol): 179.97 MDL Number: MFCD02179452 InChI Key: ODAXNYMENLFYMY-UHFFFAOYSA-N PubChem CID: 2773496 IUPAC Name: [2-(methoxycarbonyl)phenyl]boronic acid SMILES: COC(=O)C1=CC=CC=C1B(O)O
| PubChem CID | 2773496 |
|---|---|
| CAS | 374538-03-1 |
| Molecular Weight (g/mol) | 179.97 |
| MDL Number | MFCD02179452 |
| SMILES | COC(=O)C1=CC=CC=C1B(O)O |
| IUPAC Name | [2-(methoxycarbonyl)phenyl]boronic acid |
| InChI Key | ODAXNYMENLFYMY-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO4 |
Isopropyl Cyclohexanecarboxylate 98.0+%, TCI America™
CAS: 6553-80-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00058949 InChI Key: PMQZNGSMBAGPRU-UHFFFAOYSA-N Synonym: Cyclohexanecarboxylic Acid Isopropyl Ester PubChem CID: 81039 IUPAC Name: propan-2-yl cyclohexanecarboxylate SMILES: CC(C)OC(=O)C1CCCCC1
| PubChem CID | 81039 |
|---|---|
| CAS | 6553-80-6 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00058949 |
| SMILES | CC(C)OC(=O)C1CCCCC1 |
| Synonym | Cyclohexanecarboxylic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl cyclohexanecarboxylate |
| InChI Key | PMQZNGSMBAGPRU-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone 97.0+%, TCI America™
CAS: 77877-19-1 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD00043401 InChI Key: HOWPHXVPNNPSAZ-SSDOTTSWSA-N PubChem CID: 853160 IUPAC Name: (4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CCC(=O)N1C(COC1=O)C(C)C
| PubChem CID | 853160 |
|---|---|
| CAS | 77877-19-1 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD00043401 |
| SMILES | CCC(=O)N1C(COC1=O)C(C)C |
| IUPAC Name | (4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one |
| InChI Key | HOWPHXVPNNPSAZ-SSDOTTSWSA-N |
| Molecular Formula | C9H15NO3 |
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 |
4-(trans-4-Pentylcyclohexyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 143651-26-7 Molecular Formula: C17H27BO2 MDL Number: MFCD09750938 InChI Key: JFESOTHKCUMHGA-UHFFFAOYSA-N Synonym: 4-(trans-4-Pentylcyclohexyl)benzeneboronic Acid PubChem CID: 3696091 IUPAC Name: [4-(4-pentylcyclohexyl)phenyl]boronic acid
| PubChem CID | 3696091 |
|---|---|
| CAS | 143651-26-7 |
| MDL Number | MFCD09750938 |
| Synonym | 4-(trans-4-Pentylcyclohexyl)benzeneboronic Acid |
| IUPAC Name | [4-(4-pentylcyclohexyl)phenyl]boronic acid |
| InChI Key | JFESOTHKCUMHGA-UHFFFAOYSA-N |
| Molecular Formula | C17H27BO2 |