Carboxylic acids and derivatives
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Trisodium Hydrogen Ethylenediaminetetraacetate Hydrate 98.0+%, TCI America™
CAS: 85715-60-2 Molecular Formula: C10H13N2Na3O8 Molecular Weight (g/mol): 358.19 MDL Number: MFCD00149675 InChI Key: QZKRHPLGUJDVAR-UHFFFAOYSA-K Synonym: trisodium hydrogen ethylenediaminetetraacetate hydrate,tricon bw,unii-zmn5a047nl,endrate,edta triasodium salt,zmn5a047nl,ethylenediaminetetraacetic acid trisodium salt hydrate,sequestrene sodium 3,trisodium edta monohydrate,edetate trisodium monohydrate PubChem CID: 16211179 IUPAC Name: trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate SMILES: [Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 16211179 |
|---|---|
| CAS | 85715-60-2 |
| Molecular Weight (g/mol) | 358.19 |
| MDL Number | MFCD00149675 |
| SMILES | [Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| Synonym | trisodium hydrogen ethylenediaminetetraacetate hydrate,tricon bw,unii-zmn5a047nl,endrate,edta triasodium salt,zmn5a047nl,ethylenediaminetetraacetic acid trisodium salt hydrate,sequestrene sodium 3,trisodium edta monohydrate,edetate trisodium monohydrate |
| IUPAC Name | trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate |
| InChI Key | QZKRHPLGUJDVAR-UHFFFAOYSA-K |
| Molecular Formula | C10H13N2Na3O8 |
2,3,4,6-Tetra-O-benzoyl-D-mannopyranose 93.0+%, TCI America™
CAS: 113544-59-5 Molecular Formula: C34H28O10 Molecular Weight (g/mol): 596.59 MDL Number: MFCD02683399 InChI Key: FCDYAJBVISGNLC-UHFFFAOYNA-N PubChem CID: 11146396 IUPAC Name: [3,4,5-tris(benzoyloxy)-6-hydroxyoxan-2-yl]methyl benzoate SMILES: OC1OC(COC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C1OC(=O)C1=CC=CC=C1
| PubChem CID | 11146396 |
|---|---|
| CAS | 113544-59-5 |
| Molecular Weight (g/mol) | 596.59 |
| MDL Number | MFCD02683399 |
| SMILES | OC1OC(COC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C1OC(=O)C1=CC=CC=C1 |
| IUPAC Name | [3,4,5-tris(benzoyloxy)-6-hydroxyoxan-2-yl]methyl benzoate |
| InChI Key | FCDYAJBVISGNLC-UHFFFAOYNA-N |
| Molecular Formula | C34H28O10 |
N-Propargylphthalimide 98.0+%, TCI America™
CAS: 7223-50-9 Molecular Formula: C11H7NO2 Molecular Weight (g/mol): 185.18 MDL Number: MFCD00065028 InChI Key: PAZCLCHJOWLTGA-UHFFFAOYSA-N Synonym: n-propargylphthalimide,2-prop-2-yn-1-yl isoindoline-1,3-dione,n-prop-2-ynylphthalimide,2-2-propynyl-1h-isoindole-1,3 2h-dione,2-prop-2-ynyl-isoindole-1,3-dione,n-propargyl phthalimide,1h-isoindole-1,3 2h-dione, 2-2-propynyl,2-prop-2-ynyl isoindoline-1,3-dione,2-prop-2-yn-1-yl isoindole-1,3-dione,1h-isoindole-1,3 2h-dione,2-2-propyn-1-yl PubChem CID: 81644 IUPAC Name: 2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione SMILES: O=C1N(CC#C)C(=O)C2=CC=CC=C12
| PubChem CID | 81644 |
|---|---|
| CAS | 7223-50-9 |
| Molecular Weight (g/mol) | 185.18 |
| MDL Number | MFCD00065028 |
| SMILES | O=C1N(CC#C)C(=O)C2=CC=CC=C12 |
| Synonym | n-propargylphthalimide,2-prop-2-yn-1-yl isoindoline-1,3-dione,n-prop-2-ynylphthalimide,2-2-propynyl-1h-isoindole-1,3 2h-dione,2-prop-2-ynyl-isoindole-1,3-dione,n-propargyl phthalimide,1h-isoindole-1,3 2h-dione, 2-2-propynyl,2-prop-2-ynyl isoindoline-1,3-dione,2-prop-2-yn-1-yl isoindole-1,3-dione,1h-isoindole-1,3 2h-dione,2-2-propyn-1-yl |
| IUPAC Name | 2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | PAZCLCHJOWLTGA-UHFFFAOYSA-N |
| Molecular Formula | C11H7NO2 |
N-n-Octyl-3,4-thiophenedicarboximide 98.0+%, TCI America™
CAS: 773881-43-9 Molecular Formula: C14H19NO2S Molecular Weight (g/mol): 265.37 MDL Number: MFCD23703118 InChI Key: QMNVUZQWXKLEFP-UHFFFAOYSA-N Synonym: 5-n-Octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione PubChem CID: 67122608 IUPAC Name: 5-octyl-4H,5H,6H-thieno[3,4-c]pyrrole-4,6-dione SMILES: CCCCCCCCN1C(=O)C2=CSC=C2C1=O
| PubChem CID | 67122608 |
|---|---|
| CAS | 773881-43-9 |
| Molecular Weight (g/mol) | 265.37 |
| MDL Number | MFCD23703118 |
| SMILES | CCCCCCCCN1C(=O)C2=CSC=C2C1=O |
| Synonym | 5-n-Octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione |
| IUPAC Name | 5-octyl-4H,5H,6H-thieno[3,4-c]pyrrole-4,6-dione |
| InChI Key | QMNVUZQWXKLEFP-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO2S |
Methyl 2-Octynoate 98.0+%, TCI America™
CAS: 111-12-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00009530 InChI Key: FRLZQXRXIKQFNS-UHFFFAOYSA-N Synonym: methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 PubChem CID: 8092 IUPAC Name: methyl oct-2-ynoate SMILES: CCCCCC#CC(=O)OC
| PubChem CID | 8092 |
|---|---|
| CAS | 111-12-6 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00009530 |
| SMILES | CCCCCC#CC(=O)OC |
| Synonym | methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 |
| IUPAC Name | methyl oct-2-ynoate |
| InChI Key | FRLZQXRXIKQFNS-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
Methyl 3-(Methylthio)propionate, TCI America™
CAS: 13532-18-8 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.19 MDL Number: MFCD00008565 InChI Key: DMMJVMYCBULSIS-UHFFFAOYSA-N Synonym: methyl 3-methylthio propionate,methyl 3-methylthiopropionate,methyl 3-methylthio propanoate,propanoic acid, 3-methylthio-, methyl ester,methyl beta-methiopropionate,methyl 3-methylsulfanyl propanoate,methyl-3-methylthio propionate,methyl 3-methylthiopropanoate,propionic acid, 3-methylthio-, methyl ester,methyl beta-methylthiopropionate PubChem CID: 61641 IUPAC Name: methyl 3-(methylsulfanyl)propanoate SMILES: COC(=O)CCSC
| PubChem CID | 61641 |
|---|---|
| CAS | 13532-18-8 |
| Molecular Weight (g/mol) | 134.19 |
| MDL Number | MFCD00008565 |
| SMILES | COC(=O)CCSC |
| Synonym | methyl 3-methylthio propionate,methyl 3-methylthiopropionate,methyl 3-methylthio propanoate,propanoic acid, 3-methylthio-, methyl ester,methyl beta-methiopropionate,methyl 3-methylsulfanyl propanoate,methyl-3-methylthio propionate,methyl 3-methylthiopropanoate,propionic acid, 3-methylthio-, methyl ester,methyl beta-methylthiopropionate |
| IUPAC Name | methyl 3-(methylsulfanyl)propanoate |
| InChI Key | DMMJVMYCBULSIS-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2S |
Methyl 2-Bromopropionate 98.0+%, TCI America™
CAS: 5445-17-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.002 MDL Number: MFCD00000143 InChI Key: ACEONLNNWKIPTM-UHFFFAOYSA-N PubChem CID: 95576 IUPAC Name: methyl 2-bromopropanoate SMILES: CC(C(=O)OC)Br
| PubChem CID | 95576 |
|---|---|
| CAS | 5445-17-0 |
| Molecular Weight (g/mol) | 167.002 |
| MDL Number | MFCD00000143 |
| SMILES | CC(C(=O)OC)Br |
| IUPAC Name | methyl 2-bromopropanoate |
| InChI Key | ACEONLNNWKIPTM-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate 98.0+%, TCI America™
CAS: 360-54-3 Molecular Formula: C5H4F6O2 Molecular Weight (g/mol): 210.075 MDL Number: MFCD00054663 InChI Key: JGGBVFLRNNDHCM-UHFFFAOYSA-N Synonym: 2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester, Methyl 2,2-Bis(trifluoromethyl)acetate, 2,2-Bis(trifluoromethyl)acetic Acid Methyl Ester PubChem CID: 9673 IUPAC Name: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate SMILES: COC(=O)C(C(F)(F)F)C(F)(F)F
| PubChem CID | 9673 |
|---|---|
| CAS | 360-54-3 |
| Molecular Weight (g/mol) | 210.075 |
| MDL Number | MFCD00054663 |
| SMILES | COC(=O)C(C(F)(F)F)C(F)(F)F |
| Synonym | 2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester, Methyl 2,2-Bis(trifluoromethyl)acetate, 2,2-Bis(trifluoromethyl)acetic Acid Methyl Ester |
| IUPAC Name | methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate |
| InChI Key | JGGBVFLRNNDHCM-UHFFFAOYSA-N |
| Molecular Formula | C5H4F6O2 |
Isoamyl 4-Methoxycinnamate 95.0+%, TCI America™
CAS: 71617-10-2 Molecular Formula: C15H20O3 Molecular Weight (g/mol): 248.322 MDL Number: MFCD00583856 InChI Key: UBNYRXMKIIGMKK-RMKNXTFCSA-N Synonym: 4-Methoxycinnamic Acid Isoamyl Ester, Isopentyl 4-Methoxycinnamate, 4-Methoxycinnamic Acid Isopentyl Ester PubChem CID: 1549789 IUPAC Name: 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate SMILES: CC(C)CCOC(=O)C=CC1=CC=C(C=C1)OC
| PubChem CID | 1549789 |
|---|---|
| CAS | 71617-10-2 |
| Molecular Weight (g/mol) | 248.322 |
| MDL Number | MFCD00583856 |
| SMILES | CC(C)CCOC(=O)C=CC1=CC=C(C=C1)OC |
| Synonym | 4-Methoxycinnamic Acid Isoamyl Ester, Isopentyl 4-Methoxycinnamate, 4-Methoxycinnamic Acid Isopentyl Ester |
| IUPAC Name | 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate |
| InChI Key | UBNYRXMKIIGMKK-RMKNXTFCSA-N |
| Molecular Formula | C15H20O3 |
Methyl Pyruvate 97.0+%, TCI America™
CAS: 600-22-6 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD00008754 InChI Key: CWKLZLBVOJRSOM-UHFFFAOYSA-N Synonym: methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester PubChem CID: 11748 ChEBI: CHEBI:51850 IUPAC Name: methyl 2-oxopropanoate SMILES: CC(=O)C(=O)OC
| PubChem CID | 11748 |
|---|---|
| CAS | 600-22-6 |
| Molecular Weight (g/mol) | 102.089 |
| ChEBI | CHEBI:51850 |
| MDL Number | MFCD00008754 |
| SMILES | CC(=O)C(=O)OC |
| Synonym | methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester |
| IUPAC Name | methyl 2-oxopropanoate |
| InChI Key | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
Methyl Bromodifluoroacetate 97.0+%, TCI America™
CAS: 683-98-7 Molecular Formula: C3H3BrF2O2 Molecular Weight (g/mol): 188.96 MDL Number: MFCD06248118 InChI Key: IOBCLXSGWMFVQJ-UHFFFAOYSA-N Synonym: Bromodifluoroacetic Acid Methyl Ester PubChem CID: 2783339 IUPAC Name: methyl 2-bromo-2,2-difluoroacetate SMILES: COC(=O)C(F)(F)Br
| PubChem CID | 2783339 |
|---|---|
| CAS | 683-98-7 |
| Molecular Weight (g/mol) | 188.96 |
| MDL Number | MFCD06248118 |
| SMILES | COC(=O)C(F)(F)Br |
| Synonym | Bromodifluoroacetic Acid Methyl Ester |
| IUPAC Name | methyl 2-bromo-2,2-difluoroacetate |
| InChI Key | IOBCLXSGWMFVQJ-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrF2O2 |
Methyl 4-Methylcinnamate 98.0+%, TCI America™
CAS: 7560-43-2 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00460746 InChI Key: WLJBRXRCJNSDHT-UHFFFAOYSA-N Synonym: 4-Methylcinnamic Acid Methyl Ester PubChem CID: 589472 IUPAC Name: methyl 3-(4-methylphenyl)prop-2-enoate SMILES: CC1=CC=C(C=C1)C=CC(=O)OC
| PubChem CID | 589472 |
|---|---|
| CAS | 7560-43-2 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00460746 |
| SMILES | CC1=CC=C(C=C1)C=CC(=O)OC |
| Synonym | 4-Methylcinnamic Acid Methyl Ester |
| IUPAC Name | methyl 3-(4-methylphenyl)prop-2-enoate |
| InChI Key | WLJBRXRCJNSDHT-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
Divinyl Adipate (stabilized with MEHQ) 99.0+%, TCI America™
CAS: 4074-90-2 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00059202 InChI Key: JZQAAQZDDMEFGZ-UHFFFAOYSA-N Synonym: Adipic Acid Divinyl Ester PubChem CID: 19997 IUPAC Name: 1,6-diethenyl hexanedioate SMILES: C=COC(=O)CCCCC(=O)OC=C
| PubChem CID | 19997 |
|---|---|
| CAS | 4074-90-2 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00059202 |
| SMILES | C=COC(=O)CCCCC(=O)OC=C |
| Synonym | Adipic Acid Divinyl Ester |
| IUPAC Name | 1,6-diethenyl hexanedioate |
| InChI Key | JZQAAQZDDMEFGZ-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
Methyl 1,5-Dimethylpyrazole-3-carboxylate 98.0+%, TCI America™
CAS: 10250-61-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD06661312 InChI Key: WOBRRDCECRRRGS-UHFFFAOYSA-N Synonym: 1,5-Dimethylpyrazole-3-carboxylic Acid Methyl Ester PubChem CID: 2755339 IUPAC Name: methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate SMILES: COC(=O)C1=NN(C)C(C)=C1
| PubChem CID | 2755339 |
|---|---|
| CAS | 10250-61-0 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD06661312 |
| SMILES | COC(=O)C1=NN(C)C(C)=C1 |
| Synonym | 1,5-Dimethylpyrazole-3-carboxylic Acid Methyl Ester |
| IUPAC Name | methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate |
| InChI Key | WOBRRDCECRRRGS-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
Methyl o-Toluate 98.0+%, TCI America™
CAS: 89-71-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008428 InChI Key: WVWZECQNFWFVFW-UHFFFAOYSA-N Synonym: methyl o-toluate,methyl orthotoluate,o-toluic acid, methyl ester,methyl o-methylbenzoate,methyl toluate,benzoic acid, 2-methyl-, methyl ester,2-methylbenzoic acid methyl ester,o-toluic acid methyl ester,methyl-o-methyl benzoate,2-methyl methylbenzoate PubChem CID: 33094 IUPAC Name: methyl 2-methylbenzoate SMILES: CC1=CC=CC=C1C(=O)OC
| PubChem CID | 33094 |
|---|---|
| CAS | 89-71-4 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008428 |
| SMILES | CC1=CC=CC=C1C(=O)OC |
| Synonym | methyl o-toluate,methyl orthotoluate,o-toluic acid, methyl ester,methyl o-methylbenzoate,methyl toluate,benzoic acid, 2-methyl-, methyl ester,2-methylbenzoic acid methyl ester,o-toluic acid methyl ester,methyl-o-methyl benzoate,2-methyl methylbenzoate |
| IUPAC Name | methyl 2-methylbenzoate |
| InChI Key | WVWZECQNFWFVFW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |