Organic acids and derivatives
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Ethyl Heptadecafluorononanoate 98.0+%, TCI America™
CAS: 30377-52-7 Molecular Formula: C11H5F17O2 Molecular Weight (g/mol): 492.13 MDL Number: MFCD00039245 InChI Key: DRLDSHOYANTUND-UHFFFAOYSA-N Synonym: Heptadecafluorononanoic Acid Ethyl Ester, Ethyl Perfluorononanoate, Perfluorononanoic Acid Ethyl Ester PubChem CID: 121681 IUPAC Name: ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate SMILES: CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
| PubChem CID | 121681 |
|---|---|
| CAS | 30377-52-7 |
| Molecular Weight (g/mol) | 492.13 |
| MDL Number | MFCD00039245 |
| SMILES | CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| Synonym | Heptadecafluorononanoic Acid Ethyl Ester, Ethyl Perfluorononanoate, Perfluorononanoic Acid Ethyl Ester |
| IUPAC Name | ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate |
| InChI Key | DRLDSHOYANTUND-UHFFFAOYSA-N |
| Molecular Formula | C11H5F17O2 |
4-Methyl-1-phenyl-3-pyrazolidone 98.0+%, TCI America™
CAS: 2654-57-1 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.22 MDL Number: MFCD00044800 InChI Key: ZZEYCGJAYIHIAZ-UHFFFAOYNA-N Synonym: 1-phenyl-4-methyl-3-pyrazolidone,phenidone b,4-methyl-1-phenyl-3-pyrazolidinone,3-pyrazolidinone, 4-methyl-1-phenyl,4-methyl-1-phenyl-3-pyrazolidone,4-methyl-1-phenyl-pyrazolidin-3-one,1-phenyl-4-methylpyrazolidone-3,4-methyl-1-phenyl-4,5-dihydro-1h-pyrazol-3-ol,4-methyl-1-phenyl-3-pyrazilidone,phenidone b 1-phenyl-4-methyl-3-pyrazolidone PubChem CID: 98282 IUPAC Name: 4-methyl-1-phenylpyrazolidin-3-one SMILES: CC1CN(NC1=O)C1=CC=CC=C1
| PubChem CID | 98282 |
|---|---|
| CAS | 2654-57-1 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD00044800 |
| SMILES | CC1CN(NC1=O)C1=CC=CC=C1 |
| Synonym | 1-phenyl-4-methyl-3-pyrazolidone,phenidone b,4-methyl-1-phenyl-3-pyrazolidinone,3-pyrazolidinone, 4-methyl-1-phenyl,4-methyl-1-phenyl-3-pyrazolidone,4-methyl-1-phenyl-pyrazolidin-3-one,1-phenyl-4-methylpyrazolidone-3,4-methyl-1-phenyl-4,5-dihydro-1h-pyrazol-3-ol,4-methyl-1-phenyl-3-pyrazilidone,phenidone b 1-phenyl-4-methyl-3-pyrazolidone |
| IUPAC Name | 4-methyl-1-phenylpyrazolidin-3-one |
| InChI Key | ZZEYCGJAYIHIAZ-UHFFFAOYNA-N |
| Molecular Formula | C10H12N2O |
3-Chloro-4-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 175883-60-0 Molecular Formula: C7H8BClO3 Molecular Weight (g/mol): 186.40 MDL Number: MFCD04039888 InChI Key: VUTJHOWRPUPHIG-UHFFFAOYSA-N PubChem CID: 3247522 IUPAC Name: (3-chloro-4-methoxyphenyl)boronic acid SMILES: COC1=C(Cl)C=C(C=C1)B(O)O
| PubChem CID | 3247522 |
|---|---|
| CAS | 175883-60-0 |
| Molecular Weight (g/mol) | 186.40 |
| MDL Number | MFCD04039888 |
| SMILES | COC1=C(Cl)C=C(C=C1)B(O)O |
| IUPAC Name | (3-chloro-4-methoxyphenyl)boronic acid |
| InChI Key | VUTJHOWRPUPHIG-UHFFFAOYSA-N |
| Molecular Formula | C7H8BClO3 |
Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride 98.0+%, TCI America™
CAS: 29275-88-5 Molecular Formula: C9H18ClNO2 Molecular Weight (g/mol): 207.698 MDL Number: MFCD00797465 InChI Key: PZPSRTWFJCGJLP-UHFFFAOYSA-N Synonym: trans-4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride PubChem CID: 12721445 IUPAC Name: methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride SMILES: COC(=O)C1CCC(CC1)CN.Cl
| PubChem CID | 12721445 |
|---|---|
| CAS | 29275-88-5 |
| Molecular Weight (g/mol) | 207.698 |
| MDL Number | MFCD00797465 |
| SMILES | COC(=O)C1CCC(CC1)CN.Cl |
| Synonym | trans-4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride |
| InChI Key | PZPSRTWFJCGJLP-UHFFFAOYSA-N |
| Molecular Formula | C9H18ClNO2 |
Methyl 4-Isopropoxybenzoate 97.0+%, TCI America™
CAS: 35826-59-6 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00084855 InChI Key: ROEMZKPINYTSKV-UHFFFAOYSA-N Synonym: 4-Isopropoxybenzoic Acid Methyl Ester PubChem CID: 3015807 IUPAC Name: methyl 4-propan-2-yloxybenzoate SMILES: CC(C)OC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 3015807 |
|---|---|
| CAS | 35826-59-6 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00084855 |
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)OC |
| Synonym | 4-Isopropoxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 4-propan-2-yloxybenzoate |
| InChI Key | ROEMZKPINYTSKV-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Methyl 2,4-Dichlorophenylacetate 99.0+%, TCI America™
CAS: 55954-23-9 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD00018381 InChI Key: SRCVNBFTEARRJY-UHFFFAOYSA-N Synonym: methyl 2,4-dichlorophenylacetate,methyl 2-2,4-dichlorophenyl acetate,2,4-dichlorophenylacetic acid methyl ester,benzeneacetic acid, 2,4-dichloro-, methyl ester,methyl2,4-dichlorophenylacetate,dcaa methyl ester,acmc-209lq7,methyl 2,4-dichlorobenzeneacetate,2,4-dichlorophenylaceticacidmethylester,2,4-dichlorobenzeneacetic acid methyl ester PubChem CID: 2734106 IUPAC Name: methyl 2-(2,4-dichlorophenyl)acetate SMILES: COC(=O)CC1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 2734106 |
|---|---|
| CAS | 55954-23-9 |
| Molecular Weight (g/mol) | 219.061 |
| MDL Number | MFCD00018381 |
| SMILES | COC(=O)CC1=C(C=C(C=C1)Cl)Cl |
| Synonym | methyl 2,4-dichlorophenylacetate,methyl 2-2,4-dichlorophenyl acetate,2,4-dichlorophenylacetic acid methyl ester,benzeneacetic acid, 2,4-dichloro-, methyl ester,methyl2,4-dichlorophenylacetate,dcaa methyl ester,acmc-209lq7,methyl 2,4-dichlorobenzeneacetate,2,4-dichlorophenylaceticacidmethylester,2,4-dichlorobenzeneacetic acid methyl ester |
| IUPAC Name | methyl 2-(2,4-dichlorophenyl)acetate |
| InChI Key | SRCVNBFTEARRJY-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O2 |
Methyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 80-48-8 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.225 MDL Number: MFCD00008417 InChI Key: VUQUOGPMUUJORT-UHFFFAOYSA-N Synonym: methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester PubChem CID: 6645 IUPAC Name: methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC
| PubChem CID | 6645 |
|---|---|
| CAS | 80-48-8 |
| Molecular Weight (g/mol) | 186.225 |
| MDL Number | MFCD00008417 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC |
| Synonym | methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester |
| IUPAC Name | methyl 4-methylbenzenesulfonate |
| InChI Key | VUQUOGPMUUJORT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3S |
Trimellitic Anhydride 98.0+%, TCI America™
CAS: 552-30-7 Molecular Formula: C9H4O5 Molecular Weight (g/mol): 192.126 MDL Number: MFCD00005925 InChI Key: SRPWOOOHEPICQU-UHFFFAOYSA-N Synonym: trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride PubChem CID: 11089 ChEBI: CHEBI:53050 IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
| PubChem CID | 11089 |
|---|---|
| CAS | 552-30-7 |
| Molecular Weight (g/mol) | 192.126 |
| ChEBI | CHEBI:53050 |
| MDL Number | MFCD00005925 |
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
| Synonym | trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride |
| IUPAC Name | 1,3-dioxo-2-benzofuran-5-carboxylic acid |
| InChI Key | SRPWOOOHEPICQU-UHFFFAOYSA-N |
| Molecular Formula | C9H4O5 |
Isoamyl Acetate 98.0+%, TCI America™
CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O
| PubChem CID | 31276 |
|---|---|
| CAS | 123-92-2 |
| Molecular Weight (g/mol) | 130.19 |
| ChEBI | CHEBI:31725 |
| MDL Number | MFCD00008946 |
| SMILES | CC(C)CCOC(C)=O |
| Synonym | isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate |
| IUPAC Name | 3-methylbutyl acetate |
| InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
4-Acryloylmorpholine (stabilized with MEHQ) 98.0+%, TCI America™
CAS: 5117-12-4 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00047413 InChI Key: XLPJNCYCZORXHG-UHFFFAOYSA-N Synonym: 4-acryloylmorpholine,1-morpholinoprop-2-en-1-one,n-acrylylmorpholine,n-acryloylmorpholine,morpholine, 4-1-oxo-2-propenyl,poly acryloylmorpholine,acryloylmorpholine,acryloyl morpholine,1-morpholin-4-yl prop-2-en-1-one,unii-k0y58p61ja PubChem CID: 98723 IUPAC Name: 1-morpholin-4-ylprop-2-en-1-one SMILES: C=CC(=O)N1CCOCC1
| PubChem CID | 98723 |
|---|---|
| CAS | 5117-12-4 |
| Molecular Weight (g/mol) | 141.17 |
| MDL Number | MFCD00047413 |
| SMILES | C=CC(=O)N1CCOCC1 |
| Synonym | 4-acryloylmorpholine,1-morpholinoprop-2-en-1-one,n-acrylylmorpholine,n-acryloylmorpholine,morpholine, 4-1-oxo-2-propenyl,poly acryloylmorpholine,acryloylmorpholine,acryloyl morpholine,1-morpholin-4-yl prop-2-en-1-one,unii-k0y58p61ja |
| IUPAC Name | 1-morpholin-4-ylprop-2-en-1-one |
| InChI Key | XLPJNCYCZORXHG-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
N-Methyldodecanamide 98.0+%, TCI America™
CAS: 27563-67-3 Molecular Formula: C13H27NO Molecular Weight (g/mol): 213.365 MDL Number: MFCD00051780 InChI Key: APWSJINSLHHRPD-UHFFFAOYSA-N Synonym: N-Methyllauramide, N-Dodecanoylmethylamine, N-Lauroylmethylamine PubChem CID: 141362 IUPAC Name: N-methyldodecanamide SMILES: CCCCCCCCCCCC(=O)NC
| PubChem CID | 141362 |
|---|---|
| CAS | 27563-67-3 |
| Molecular Weight (g/mol) | 213.365 |
| MDL Number | MFCD00051780 |
| SMILES | CCCCCCCCCCCC(=O)NC |
| Synonym | N-Methyllauramide, N-Dodecanoylmethylamine, N-Lauroylmethylamine |
| IUPAC Name | N-methyldodecanamide |
| InChI Key | APWSJINSLHHRPD-UHFFFAOYSA-N |
| Molecular Formula | C13H27NO |
Isopropenyl Acetate 98.0+%, TCI America™
CAS: 108-22-5 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008709 InChI Key: HETCEOQFVDFGSY-UHFFFAOYSA-N Synonym: isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate PubChem CID: 7916 IUPAC Name: prop-1-en-2-yl acetate SMILES: CC(=C)OC(C)=O
| PubChem CID | 7916 |
|---|---|
| CAS | 108-22-5 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008709 |
| SMILES | CC(=C)OC(C)=O |
| Synonym | isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate |
| IUPAC Name | prop-1-en-2-yl acetate |
| InChI Key | HETCEOQFVDFGSY-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
6-Methylnicotinamide 98.0+%, TCI America™
CAS: 6960-22-1 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00006342 InChI Key: IJXDURUAYOKSIS-UHFFFAOYSA-N Synonym: 6-methylnicotinamide,6-methyl nicotinamide,3-pyridinecarboxamide, 6-methyl,6-methyl-3-pyridinecarboxamide,8ej,nicotinamide, 6-methyl,3-carbamoyl-6-methylpyridine,ksc630k7f,2-methylpyridine-5-carboxamide,3-pyridinecarboxamide,6-methyl PubChem CID: 96351 IUPAC Name: 6-methylpyridine-3-carboxamide SMILES: CC1=NC=C(C=C1)C(=O)N
| PubChem CID | 96351 |
|---|---|
| CAS | 6960-22-1 |
| Molecular Weight (g/mol) | 136.154 |
| MDL Number | MFCD00006342 |
| SMILES | CC1=NC=C(C=C1)C(=O)N |
| Synonym | 6-methylnicotinamide,6-methyl nicotinamide,3-pyridinecarboxamide, 6-methyl,6-methyl-3-pyridinecarboxamide,8ej,nicotinamide, 6-methyl,3-carbamoyl-6-methylpyridine,ksc630k7f,2-methylpyridine-5-carboxamide,3-pyridinecarboxamide,6-methyl |
| IUPAC Name | 6-methylpyridine-3-carboxamide |
| InChI Key | IJXDURUAYOKSIS-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
S-Methyl Thioacetate 95.0+%, TCI America™
CAS: 1534-08-3 Molecular Formula: C3H6OS Molecular Weight (g/mol): 90.14 MDL Number: MFCD00014989 InChI Key: OATSQCXMYKYFQO-UHFFFAOYSA-N Synonym: s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester PubChem CID: 73750 ChEBI: CHEBI:51280 IUPAC Name: S-methyl ethanethioate SMILES: CC(=O)SC
| PubChem CID | 73750 |
|---|---|
| CAS | 1534-08-3 |
| Molecular Weight (g/mol) | 90.14 |
| ChEBI | CHEBI:51280 |
| MDL Number | MFCD00014989 |
| SMILES | CC(=O)SC |
| Synonym | s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester |
| IUPAC Name | S-methyl ethanethioate |
| InChI Key | OATSQCXMYKYFQO-UHFFFAOYSA-N |
| Molecular Formula | C3H6OS |
Mycophenolate Mofetil 98.0+%, TCI America™
CAS: 128794-94-5 Molecular Formula: C23H31NO7 Molecular Weight (g/mol): 433.501 MDL Number: MFCD00867568 InChI Key: RTGDFNSFWBGLEC-SYZQJQIISA-N Synonym: mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 PubChem CID: 5281078 ChEBI: CHEBI:8764 IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC
| PubChem CID | 5281078 |
|---|---|
| CAS | 128794-94-5 |
| Molecular Weight (g/mol) | 433.501 |
| ChEBI | CHEBI:8764 |
| MDL Number | MFCD00867568 |
| SMILES | CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC |
| Synonym | mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 |
| IUPAC Name | 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate |
| InChI Key | RTGDFNSFWBGLEC-SYZQJQIISA-N |
| Molecular Formula | C23H31NO7 |