Organic acids and derivatives
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2,2-Difluoroethyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 74427-22-8 Molecular Formula: C3H3F5O3S Molecular Weight (g/mol): 214.106 MDL Number: MFCD02093342 InChI Key: NKULBUOBGILEAR-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid 2,2-Difluoroethyl Ester, 2,2-Difluoroethyl Triflate PubChem CID: 2774089 IUPAC Name: 2,2-difluoroethyl trifluoromethanesulfonate SMILES: C(C(F)F)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2774089 |
|---|---|
| CAS | 74427-22-8 |
| Molecular Weight (g/mol) | 214.106 |
| MDL Number | MFCD02093342 |
| SMILES | C(C(F)F)OS(=O)(=O)C(F)(F)F |
| Synonym | Trifluoromethanesulfonic Acid 2,2-Difluoroethyl Ester, 2,2-Difluoroethyl Triflate |
| IUPAC Name | 2,2-difluoroethyl trifluoromethanesulfonate |
| InChI Key | NKULBUOBGILEAR-UHFFFAOYSA-N |
| Molecular Formula | C3H3F5O3S |
Barium Diphenylamine-4-sulfonate 98.0+%, TCI America™
CAS: 6211-24-1 Molecular Formula: C24H20BaN2O6S2 Molecular Weight (g/mol): 633.88 MDL Number: MFCD00007497 InChI Key: IVCNVXFNTKXMCA-UHFFFAOYSA-L Synonym: barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ PubChem CID: 80342 IUPAC Name: barium(2+) bis(4-(phenylamino)benzene-1-sulfonate) SMILES: [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 80342 |
|---|---|
| CAS | 6211-24-1 |
| Molecular Weight (g/mol) | 633.88 |
| MDL Number | MFCD00007497 |
| SMILES | [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ |
| IUPAC Name | barium(2+) bis(4-(phenylamino)benzene-1-sulfonate) |
| InChI Key | IVCNVXFNTKXMCA-UHFFFAOYSA-L |
| Molecular Formula | C24H20BaN2O6S2 |
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 |
N-Tris(hydroxymethyl)methyl-3-aminopropanesulfonic Acid 98.0+%, TCI America™
CAS: 29915-38-6 Molecular Formula: C7H17NO6S Molecular Weight (g/mol): 243.27 MDL Number: MFCD00007538 InChI Key: YNLCVAQJIKOXER-UHFFFAOYSA-N Synonym: taps,3-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino propane-1-sulfonic acid,unii-y5dc3in066,n-tris hydroxymethyl methyl-3-aminopropanesulfonic acid,2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,taps buffer,1-propanesulfonic acid, 3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino PubChem CID: 121591 IUPAC Name: 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid SMILES: OCC(CO)(CO)NCCCS(O)(=O)=O
| PubChem CID | 121591 |
|---|---|
| CAS | 29915-38-6 |
| Molecular Weight (g/mol) | 243.27 |
| MDL Number | MFCD00007538 |
| SMILES | OCC(CO)(CO)NCCCS(O)(=O)=O |
| Synonym | taps,3-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino propane-1-sulfonic acid,unii-y5dc3in066,n-tris hydroxymethyl methyl-3-aminopropanesulfonic acid,2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,taps buffer,1-propanesulfonic acid, 3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino |
| IUPAC Name | 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid |
| InChI Key | YNLCVAQJIKOXER-UHFFFAOYSA-N |
| Molecular Formula | C7H17NO6S |
Diethyl Acetylenedicarboxylate 96.0+%, TCI America™
CAS: 762-21-0 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 MDL Number: MFCD00009186 InChI Key: STRNXFOUBFLVIN-UHFFFAOYSA-N Synonym: diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate PubChem CID: 69803 IUPAC Name: diethyl but-2-ynedioate SMILES: CCOC(=O)C#CC(=O)OCC
| PubChem CID | 69803 |
|---|---|
| CAS | 762-21-0 |
| Molecular Weight (g/mol) | 170.164 |
| MDL Number | MFCD00009186 |
| SMILES | CCOC(=O)C#CC(=O)OCC |
| Synonym | diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate |
| IUPAC Name | diethyl but-2-ynedioate |
| InChI Key | STRNXFOUBFLVIN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
Methyl Azetidine-3-carboxylate Hydrochloride 98.0+%, TCI America™
CAS: 100202-39-9 Molecular Formula: C5H10ClNO2 Molecular Weight (g/mol): 151.59 MDL Number: MFCD01861758 InChI Key: UOCWTLBPYROHEF-UHFFFAOYSA-N Synonym: methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka PubChem CID: 21100040 IUPAC Name: methyl azetidine-3-carboxylate hydrochloride SMILES: Cl.COC(=O)C1CNC1
| PubChem CID | 21100040 |
|---|---|
| CAS | 100202-39-9 |
| Molecular Weight (g/mol) | 151.59 |
| MDL Number | MFCD01861758 |
| SMILES | Cl.COC(=O)C1CNC1 |
| Synonym | methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka |
| IUPAC Name | methyl azetidine-3-carboxylate hydrochloride |
| InChI Key | UOCWTLBPYROHEF-UHFFFAOYSA-N |
| Molecular Formula | C5H10ClNO2 |
3-(4-Chlorobenzal)phthalide 98.0+%, TCI America™
CAS: 20526-97-0 Molecular Formula: C15H9ClO2 Molecular Weight (g/mol): 256.69 MDL Number: MFCD02683417,MFCD02683417 InChI Key: OHRFHJYUEWVXBD-ZROIWOOFSA-N Synonym: 3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one PubChem CID: 10467624 IUPAC Name: (3Z)-3-[(4-chlorophenyl)methylidene]-1,3-dihydro-2-benzofuran-1-one SMILES: ClC1=CC=C(\C=C2/OC(=O)C3=CC=CC=C23)C=C1
| PubChem CID | 10467624 |
|---|---|
| CAS | 20526-97-0 |
| Molecular Weight (g/mol) | 256.69 |
| MDL Number | MFCD02683417,MFCD02683417 |
| SMILES | ClC1=CC=C(\C=C2/OC(=O)C3=CC=CC=C23)C=C1 |
| Synonym | 3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one |
| IUPAC Name | (3Z)-3-[(4-chlorophenyl)methylidene]-1,3-dihydro-2-benzofuran-1-one |
| InChI Key | OHRFHJYUEWVXBD-ZROIWOOFSA-N |
| Molecular Formula | C15H9ClO2 |
Hexyl Methacrylate (stabilized with MEHQ) 98.0+%, TCI America™
CAS: 142-09-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00015283 InChI Key: LNCPIMCVTKXXOY-UHFFFAOYSA-N Synonym: hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406 PubChem CID: 8872 IUPAC Name: hexyl 2-methylprop-2-enoate SMILES: CCCCCCOC(=O)C(C)=C
| PubChem CID | 8872 |
|---|---|
| CAS | 142-09-6 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD00015283 |
| SMILES | CCCCCCOC(=O)C(C)=C |
| Synonym | hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406 |
| IUPAC Name | hexyl 2-methylprop-2-enoate |
| InChI Key | LNCPIMCVTKXXOY-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Methyl Cyclobutanecarboxylate 98.0+%, TCI America™
CAS: 765-85-5 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00095142 InChI Key: CBTGNLZUIZHUHY-UHFFFAOYSA-N Synonym: cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylic acid, methyl ester,pubchem23839,methyl cyclobutane carboxylate,cyclobutanecarboxylicacid,methylester,cyclobutanecarboxylicacid, methyl ester,cyclobutane carboxylic acid methyl ester PubChem CID: 136594 IUPAC Name: methyl cyclobutanecarboxylate SMILES: COC(=O)C1CCC1
| PubChem CID | 136594 |
|---|---|
| CAS | 765-85-5 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00095142 |
| SMILES | COC(=O)C1CCC1 |
| Synonym | cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylic acid, methyl ester,pubchem23839,methyl cyclobutane carboxylate,cyclobutanecarboxylicacid,methylester,cyclobutanecarboxylicacid, methyl ester,cyclobutane carboxylic acid methyl ester |
| IUPAC Name | methyl cyclobutanecarboxylate |
| InChI Key | CBTGNLZUIZHUHY-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Carboplatin 98.0+%, TCI America™
CAS: 41575-94-4 Molecular Formula: C6H12N2O4Pt Molecular Weight (g/mol): 371.26 MDL Number: MFCD00070464 InChI Key: BHKICZDKIIDMNR-UHFFFAOYSA-L Synonym: carboplatin PubChem CID: 122130863 IUPAC Name: 5,9-dioxo-6,8-dioxa-7-platinaspiro[3.5]nonane-7,7-bis(ylium) diamine SMILES: N.N.O=C1O[Pt++]OC(=O)C11CCC1
| PubChem CID | 122130863 |
|---|---|
| CAS | 41575-94-4 |
| Molecular Weight (g/mol) | 371.26 |
| MDL Number | MFCD00070464 |
| SMILES | N.N.O=C1O[Pt++]OC(=O)C11CCC1 |
| Synonym | carboplatin |
| IUPAC Name | 5,9-dioxo-6,8-dioxa-7-platinaspiro[3.5]nonane-7,7-bis(ylium) diamine |
| InChI Key | BHKICZDKIIDMNR-UHFFFAOYSA-L |
| Molecular Formula | C6H12N2O4Pt |
Dimethyl DL-Malate 97.0+%, TCI America™
CAS: 1587-15-1 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.141 MDL Number: MFCD00025868 InChI Key: YSEKNCXYRGKTBJ-UHFFFAOYSA-N Synonym: DL-Apple Acid Dimethyl Ester, DL-Malic Acid Dimethyl Ester PubChem CID: 12674 IUPAC Name: dimethyl 2-hydroxybutanedioate SMILES: COC(=O)CC(C(=O)OC)O
| PubChem CID | 12674 |
|---|---|
| CAS | 1587-15-1 |
| Molecular Weight (g/mol) | 162.141 |
| MDL Number | MFCD00025868 |
| SMILES | COC(=O)CC(C(=O)OC)O |
| Synonym | DL-Apple Acid Dimethyl Ester, DL-Malic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 2-hydroxybutanedioate |
| InChI Key | YSEKNCXYRGKTBJ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O5 |
N-Carbobenzoxy-L-threonine 98.0+%, TCI America™
CAS: 19728-63-3 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD00065948 InChI Key: IPJUIRDNBFZGQN-SCZZXKLOSA-N Synonym: z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine PubChem CID: 88217 IUPAC Name: (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid SMILES: C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 88217 |
|---|---|
| CAS | 19728-63-3 |
| Molecular Weight (g/mol) | 253.25 |
| MDL Number | MFCD00065948 |
| SMILES | C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine |
| IUPAC Name | (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid |
| InChI Key | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| Molecular Formula | C12H15NO5 |
Methyl 3-(4-Hydroxy-3-methoxyphenyl)propionate 98.0+%, TCI America™
CAS: 56024-44-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 InChI Key: PDTCYIZPTRRYOT-UHFFFAOYSA-N Synonym: 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid Methyl Ester PubChem CID: 523498 IUPAC Name: methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate SMILES: COC1=C(C=CC(=C1)CCC(=O)OC)O
| PubChem CID | 523498 |
|---|---|
| CAS | 56024-44-3 |
| Molecular Weight (g/mol) | 210.229 |
| SMILES | COC1=C(C=CC(=C1)CCC(=O)OC)O |
| Synonym | 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid Methyl Ester |
| IUPAC Name | methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate |
| InChI Key | PDTCYIZPTRRYOT-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
Vinyl 2-Chlorobenzoate (stabilized with HQ) 98.0+%, TCI America™
CAS: 15721-27-4 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 MDL Number: MFCD00059479 InChI Key: ZJIHUSWGELHYBJ-UHFFFAOYSA-N Synonym: 2-Chlorobenzoic Acid Vinyl Ester PubChem CID: 587335 IUPAC Name: ethenyl 2-chlorobenzoate SMILES: C=COC(=O)C1=CC=CC=C1Cl
| PubChem CID | 587335 |
|---|---|
| CAS | 15721-27-4 |
| Molecular Weight (g/mol) | 182.603 |
| MDL Number | MFCD00059479 |
| SMILES | C=COC(=O)C1=CC=CC=C1Cl |
| Synonym | 2-Chlorobenzoic Acid Vinyl Ester |
| IUPAC Name | ethenyl 2-chlorobenzoate |
| InChI Key | ZJIHUSWGELHYBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO2 |
Ethyl 6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate 98.0+%, TCI America™
CAS: 5395-36-8 Molecular Formula: C14H16N2O3 Molecular Weight (g/mol): 260.293 MDL Number: MFCD00124778 InChI Key: URMNHHAUVFEMIG-UHFFFAOYSA-N Synonym: 6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid Ethyl Ester PubChem CID: 220272 IUPAC Name: ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C
| PubChem CID | 220272 |
|---|---|
| CAS | 5395-36-8 |
| Molecular Weight (g/mol) | 260.293 |
| MDL Number | MFCD00124778 |
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C |
| Synonym | 6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate |
| InChI Key | URMNHHAUVFEMIG-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O3 |