Carboxylic acids and derivatives
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N,N-Di-n-butylformamide, 99%
CAS: 761-65-9 Molecular Formula: C9H19NO Molecular Weight (g/mol): 157.26 MDL Number: MFCD00003289 InChI Key: NZMAJUHVSZBJHL-UHFFFAOYSA-N Synonym: dibutylformamide,formamide, n,n-dibutyl,n,n-di-n-butylformamide,formamide, n,n-di-n-butyl,dibutylamid kyseliny mravenci,dibutylamid kyseliny mravenci czech,formamide, dibutyl,n-formyldibutylamine,formamide,n-dibutyl,n,n-di-butylformamide PubChem CID: 12975 IUPAC Name: N,N-dibutylformamide SMILES: CCCCN(CCCC)C=O
| PubChem CID | 12975 |
|---|---|
| CAS | 761-65-9 |
| Molecular Weight (g/mol) | 157.26 |
| MDL Number | MFCD00003289 |
| SMILES | CCCCN(CCCC)C=O |
| Synonym | dibutylformamide,formamide, n,n-dibutyl,n,n-di-n-butylformamide,formamide, n,n-di-n-butyl,dibutylamid kyseliny mravenci,dibutylamid kyseliny mravenci czech,formamide, dibutyl,n-formyldibutylamine,formamide,n-dibutyl,n,n-di-butylformamide |
| IUPAC Name | N,N-dibutylformamide |
| InChI Key | NZMAJUHVSZBJHL-UHFFFAOYSA-N |
| Molecular Formula | C9H19NO |
Terephthalic dihydrazide, 95%
CAS: 136-64-1 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00014762 InChI Key: ALHNLFMSAXZKRC-UHFFFAOYSA-N Synonym: terephthalic dihydrazide,terephthalohydrazide,terephthalic acid dihydrazide,terephthalic hydrazide,1,4-benzenedicarboxylic acid, dihydrazide,terephthaloyl dihydrazide,terephthalic acid bishydrazide,terephthalic acid, dihydrazide,terephthalhydrazide,terephthalicdihydrazide PubChem CID: 67294 IUPAC Name: benzene-1,4-dicarbohydrazide SMILES: NNC(=O)C1=CC=C(C=C1)C(=O)NN
| PubChem CID | 67294 |
|---|---|
| CAS | 136-64-1 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00014762 |
| SMILES | NNC(=O)C1=CC=C(C=C1)C(=O)NN |
| Synonym | terephthalic dihydrazide,terephthalohydrazide,terephthalic acid dihydrazide,terephthalic hydrazide,1,4-benzenedicarboxylic acid, dihydrazide,terephthaloyl dihydrazide,terephthalic acid bishydrazide,terephthalic acid, dihydrazide,terephthalhydrazide,terephthalicdihydrazide |
| IUPAC Name | benzene-1,4-dicarbohydrazide |
| InChI Key | ALHNLFMSAXZKRC-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
2-Mercaptopropionic acid, 97%
CAS: 79-42-5 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004862 InChI Key: PMNLUUOXGOOLSP-UHFFFAOYNA-N Synonym: 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 PubChem CID: 62326 ChEBI: CHEBI:47872 IUPAC Name: 2-sulfanylpropanoic acid SMILES: CC(S)C(O)=O
| PubChem CID | 62326 |
|---|---|
| CAS | 79-42-5 |
| Molecular Weight (g/mol) | 106.14 |
| ChEBI | CHEBI:47872 |
| MDL Number | MFCD00004862 |
| SMILES | CC(S)C(O)=O |
| Synonym | 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 |
| IUPAC Name | 2-sulfanylpropanoic acid |
| InChI Key | PMNLUUOXGOOLSP-UHFFFAOYNA-N |
| Molecular Formula | C3H6O2S |
Methyl indole-2-carboxylate, 97%
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 |
Thermo Scientific Chemicals N,N'-Methylenebisacrylamide, 2% soln.
CAS: 110-26-9 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00008625 InChI Key: ZIUHHBKFKCYYJD-UHFFFAOYSA-N Synonym: n,n'-methylenebisacrylamide,n,n'-methylenediacrylamide,n,n'-methylene-bis-acrylamide,methylenebisacrylamide,methylenediacrylamide,2-propenamide, n,n'-methylenebis,bis-acrylamide,n,n'-methylenebis acrylamide,n,n'-methylidenebisacrylamide,bisacrylamide PubChem CID: 8041 IUPAC Name: N-[(prop-2-enoylamino)methyl]prop-2-enamide SMILES: C=CC(=O)NCNC(=O)C=C
| PubChem CID | 8041 |
|---|---|
| CAS | 110-26-9 |
| Molecular Weight (g/mol) | 154.169 |
| MDL Number | MFCD00008625 |
| SMILES | C=CC(=O)NCNC(=O)C=C |
| Synonym | n,n'-methylenebisacrylamide,n,n'-methylenediacrylamide,n,n'-methylene-bis-acrylamide,methylenebisacrylamide,methylenediacrylamide,2-propenamide, n,n'-methylenebis,bis-acrylamide,n,n'-methylenebis acrylamide,n,n'-methylidenebisacrylamide,bisacrylamide |
| IUPAC Name | N-[(prop-2-enoylamino)methyl]prop-2-enamide |
| InChI Key | ZIUHHBKFKCYYJD-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
N-Decanoyl-N-methyl-D-glucamine
CAS: 85261-20-7 Molecular Formula: C17H35NO6 Molecular Weight (g/mol): 349.468 MDL Number: MFCD00036801 InChI Key: UMWKZHPREXJQGR-XOSAIJSUSA-N Synonym: n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer PubChem CID: 174432 IUPAC Name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide SMILES: CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
| PubChem CID | 174432 |
|---|---|
| CAS | 85261-20-7 |
| Molecular Weight (g/mol) | 349.468 |
| MDL Number | MFCD00036801 |
| SMILES | CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O |
| Synonym | n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer |
| IUPAC Name | N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide |
| InChI Key | UMWKZHPREXJQGR-XOSAIJSUSA-N |
| Molecular Formula | C17H35NO6 |
Dihydrofluorescein diacetate, 97%
CAS: 35340-49-9 Molecular Formula: C24H18O7 Molecular Weight (g/mol): 418.401 MDL Number: MFCD00005056 InChI Key: YKSJJXGQHSESKB-UHFFFAOYSA-N Synonym: dihydrofluorescein diacetate,2-3,6-diacetoxy-9h-xanthen-9-yl benzoic acid,diacetyldihydrofluorescein,2-3,6-diacetoxy-9h-xanth-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid,dihydrofluorescein diacetate h2fda,2-3,6-diacetyloxy-9h-xanthen-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid # PubChem CID: 629056 IUPAC Name: 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid SMILES: CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)O
| PubChem CID | 629056 |
|---|---|
| CAS | 35340-49-9 |
| Molecular Weight (g/mol) | 418.401 |
| MDL Number | MFCD00005056 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)O |
| Synonym | dihydrofluorescein diacetate,2-3,6-diacetoxy-9h-xanthen-9-yl benzoic acid,diacetyldihydrofluorescein,2-3,6-diacetoxy-9h-xanth-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid,dihydrofluorescein diacetate h2fda,2-3,6-diacetyloxy-9h-xanthen-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid # |
| IUPAC Name | 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid |
| InChI Key | YKSJJXGQHSESKB-UHFFFAOYSA-N |
| Molecular Formula | C24H18O7 |
Ethyl cyclohexanecarboxylate, 98+%
CAS: 3289-28-9 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD00041734 InChI Key: JJOYCHKVKWDMEA-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate PubChem CID: 18686 IUPAC Name: ethyl cyclohexanecarboxylate SMILES: CCOC(=O)C1CCCCC1
| PubChem CID | 18686 |
|---|---|
| CAS | 3289-28-9 |
| Molecular Weight (g/mol) | 156.225 |
| MDL Number | MFCD00041734 |
| SMILES | CCOC(=O)C1CCCCC1 |
| Synonym | cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate |
| IUPAC Name | ethyl cyclohexanecarboxylate |
| InChI Key | JJOYCHKVKWDMEA-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
5-Norbornene-2-carboxylic acid, predominantly endo isomer, 97%
CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00085356 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O
| PubChem CID | 78949 |
|---|---|
| CAS | 120-74-1 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00085356 |
| SMILES | C1C2CC(C1C=C2)C(=O)O |
| Synonym | 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid |
| IUPAC Name | bicyclo[2.2.1]hept-2-ene-5-carboxylic acid |
| InChI Key | FYGUSUBEMUKACF-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Ethyl 3-(trifluoromethyl)crotonate, (E)+(Z), 96%
CAS: 24490-03-7 Molecular Formula: C7H9F3O2 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00040846 InChI Key: OSZLARYVWBUKTG-SNAWJCMRSA-N Synonym: ethyl 4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate,ethyl 2e-4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate, cis + trans,ethyl e-4,4,4-trifluoro-3-methylbut-2-enoate,e-3-trifluoromethyl-2-butenoic acid ethyl ester PubChem CID: 5838607 IUPAC Name: ethyl (E)-4,4,4-trifluoro-3-methylbut-2-enoate SMILES: CCOC(=O)\C=C(/C)C(F)(F)F
| PubChem CID | 5838607 |
|---|---|
| CAS | 24490-03-7 |
| Molecular Weight (g/mol) | 182.14 |
| MDL Number | MFCD00040846 |
| SMILES | CCOC(=O)\C=C(/C)C(F)(F)F |
| Synonym | ethyl 4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate,ethyl 2e-4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate, cis + trans,ethyl e-4,4,4-trifluoro-3-methylbut-2-enoate,e-3-trifluoromethyl-2-butenoic acid ethyl ester |
| IUPAC Name | ethyl (E)-4,4,4-trifluoro-3-methylbut-2-enoate |
| InChI Key | OSZLARYVWBUKTG-SNAWJCMRSA-N |
| Molecular Formula | C7H9F3O2 |
1,3,5-Benzenetricarboxylic acid, 98%
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
| PubChem CID | 11138 |
|---|---|
| CAS | 554-95-0 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:46032 |
| MDL Number | MFCD00002517 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
| Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
| IUPAC Name | benzene-1,3,5-tricarboxylic acid |
| InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
N-(3-Bromopropyl)phthalimide, Spectrum™ Chemical
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CAS: 5460-29-7
| CAS | 5460-29-7 |
|---|
2,2,3,3,4,4,4-Heptafluorobutyl methacrylate, 97%, stab.
CAS: 13695-31-3 Molecular Formula: C8H7F7O2 Molecular Weight (g/mol): 268.131 MDL Number: MFCD00039251 InChI Key: VIEHKBXCWMMOOU-UHFFFAOYSA-N Synonym: heptafluorobutyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl methacrylate,1h,1h-heptafluorobutyl methacrylate,1h,1h-heptafluoro-n-butyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid 2,2,3,3,4,4,4-heptafluorobutyl ester,heptafluoropropylmethyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl 2-methylacrylate # PubChem CID: 83666 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F
| PubChem CID | 83666 |
|---|---|
| CAS | 13695-31-3 |
| Molecular Weight (g/mol) | 268.131 |
| MDL Number | MFCD00039251 |
| SMILES | CC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Synonym | heptafluorobutyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl methacrylate,1h,1h-heptafluorobutyl methacrylate,1h,1h-heptafluoro-n-butyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester,methacrylic acid 2,2,3,3,4,4,4-heptafluorobutyl ester,heptafluoropropylmethyl methacrylate,2,2,3,3,4,4,4-heptafluorobutyl 2-methylacrylate # |
| IUPAC Name | 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate |
| InChI Key | VIEHKBXCWMMOOU-UHFFFAOYSA-N |
| Molecular Formula | C8H7F7O2 |
| CAS | 3-4-4342 |
|---|---|
| MDL Number | MFCD00057167 |
Tamoxifen citrate
CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733525 |
|---|---|
| CAS | 54965-24-1 |
| Molecular Weight (g/mol) | 563.65 |
| ChEBI | CHEBI:9397 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |