Organic acids and derivatives
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Dimethyl acetylenedicarboxylate, 98%
CAS: 762-42-5 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00008456 InChI Key: VHILMKFSCRWWIJ-UHFFFAOYSA-N Synonym: dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene PubChem CID: 12980 IUPAC Name: dimethyl but-2-ynedioate SMILES: COC(=O)C#CC(=O)OC
| PubChem CID | 12980 |
|---|---|
| CAS | 762-42-5 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00008456 |
| SMILES | COC(=O)C#CC(=O)OC |
| Synonym | dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene |
| IUPAC Name | dimethyl but-2-ynedioate |
| InChI Key | VHILMKFSCRWWIJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
Ethyl cinnamate, 98+%
CAS: 103-36-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00009189 InChI Key: KBEBGUQPQBELIU-CMDGGOBGSA-N Synonym: ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate PubChem CID: 637758 ChEBI: CHEBI:4895 IUPAC Name: ethyl (E)-3-phenylprop-2-enoate SMILES: CCOC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637758 |
|---|---|
| CAS | 103-36-6 |
| Molecular Weight (g/mol) | 176.215 |
| ChEBI | CHEBI:4895 |
| MDL Number | MFCD00009189 |
| SMILES | CCOC(=O)C=CC1=CC=CC=C1 |
| Synonym | ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate |
| IUPAC Name | ethyl (E)-3-phenylprop-2-enoate |
| InChI Key | KBEBGUQPQBELIU-CMDGGOBGSA-N |
| Molecular Formula | C11H12O2 |
2-Nitrobenzeneboronic acid, 96%
CAS: 5570-19-4 Molecular Formula: C6H6BNO4 Molecular Weight (g/mol): 166.93 MDL Number: MFCD00161358 InChI Key: SFUIGUOONHIVLG-UHFFFAOYSA-N Synonym: 2-nitrophenyl boronic acid,2-nitrobenzeneboronic acid,boronic acid, nitrophenyl,o-nitrophenylboronic acid,2-borononitrobenzene,pubchem8087,nitrobenzeneboronic acid,pubchem16455,2-nitrophenylboronicacid PubChem CID: 2773548 IUPAC Name: (2-nitrophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 2773548 |
|---|---|
| CAS | 5570-19-4 |
| Molecular Weight (g/mol) | 166.93 |
| MDL Number | MFCD00161358 |
| SMILES | OB(O)C1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitrophenyl boronic acid,2-nitrobenzeneboronic acid,boronic acid, nitrophenyl,o-nitrophenylboronic acid,2-borononitrobenzene,pubchem8087,nitrobenzeneboronic acid,pubchem16455,2-nitrophenylboronicacid |
| IUPAC Name | (2-nitrophenyl)boronic acid |
| InChI Key | SFUIGUOONHIVLG-UHFFFAOYSA-N |
| Molecular Formula | C6H6BNO4 |
H-7 dihydrochloride, Thermo Scientific Chemicals
CAS: 108930-17-2 Molecular Formula: C14H19Cl2N3O2S Molecular Weight (g/mol): 364.285 MDL Number: MFCD00036961 InChI Key: OARGPFMFRLLKPF-UHFFFAOYSA-N Synonym: h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride PubChem CID: 73332 ChEBI: CHEBI:82739 IUPAC Name: 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride SMILES: CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
| PubChem CID | 73332 |
|---|---|
| CAS | 108930-17-2 |
| Molecular Weight (g/mol) | 364.285 |
| ChEBI | CHEBI:82739 |
| MDL Number | MFCD00036961 |
| SMILES | CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl |
| Synonym | h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride |
| IUPAC Name | 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride |
| InChI Key | OARGPFMFRLLKPF-UHFFFAOYSA-N |
| Molecular Formula | C14H19Cl2N3O2S |
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 |
DL-Homocysteine thiolactone hydrochloride, 99%
CAS: 6038-19-3 Molecular Formula: C4H8ClNOS Molecular Weight (g/mol): 153.624 MDL Number: MFCD00012724 InChI Key: ZSEGSUBKDDEALH-UHFFFAOYSA-N Synonym: dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride PubChem CID: 110753 IUPAC Name: 3-aminothiolan-2-one;hydrochloride SMILES: C1CSC(=O)C1N.Cl
| PubChem CID | 110753 |
|---|---|
| CAS | 6038-19-3 |
| Molecular Weight (g/mol) | 153.624 |
| MDL Number | MFCD00012724 |
| SMILES | C1CSC(=O)C1N.Cl |
| Synonym | dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride |
| IUPAC Name | 3-aminothiolan-2-one;hydrochloride |
| InChI Key | ZSEGSUBKDDEALH-UHFFFAOYSA-N |
| Molecular Formula | C4H8ClNOS |
Methyl thiophene-3-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 22913-26-4 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.17 MDL Number: MFCD06203810 InChI Key: ZTRAEMILTFNZSM-UHFFFAOYSA-N Synonym: methyl 3-thiophenecarboxylate,3-thiophenecarboxylic acid, methyl ester,thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylicacid, methyl ester,methyl thiophen-3-carboxylate,methyl-3-thenoate,methyl 3-thenoate,3-methoxycarbonylthiophene,3-methoxy carbonyl-thiophene,methyl 3-thiophenecarboxylate # PubChem CID: 574151 IUPAC Name: methyl thiophene-3-carboxylate SMILES: COC(=O)C1=CSC=C1
| PubChem CID | 574151 |
|---|---|
| CAS | 22913-26-4 |
| Molecular Weight (g/mol) | 142.17 |
| MDL Number | MFCD06203810 |
| SMILES | COC(=O)C1=CSC=C1 |
| Synonym | methyl 3-thiophenecarboxylate,3-thiophenecarboxylic acid, methyl ester,thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylicacid, methyl ester,methyl thiophen-3-carboxylate,methyl-3-thenoate,methyl 3-thenoate,3-methoxycarbonylthiophene,3-methoxy carbonyl-thiophene,methyl 3-thiophenecarboxylate # |
| IUPAC Name | methyl thiophene-3-carboxylate |
| InChI Key | ZTRAEMILTFNZSM-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
| Physical Form | Solid |
|---|---|
| Melting Point | 220°C to 222°C |
2-Carboxybenzeneboronic acid, 95%
CAS: 149105-19-1 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.939 MDL Number: MFCD01318118 InChI Key: KWNPRVWFJOSGMZ-UHFFFAOYSA-N Synonym: 2-carboxyphenylboronic acid,2-dihydroxyboranyl benzoic acid,2-carboxybenzeneboronic acid,2-dihydroxyboronyl benzoic acid,2-dihydroxyboryl benzoic acid,carboxyphenylboronic acid,benzoic acid, 2-borono,o-carboxyphenylboronic acid,2-carboxyphenylboronicacid,borobenzoesaure PubChem CID: 2733985 IUPAC Name: 2-boronobenzoic acid SMILES: B(C1=CC=CC=C1C(=O)O)(O)O
| PubChem CID | 2733985 |
|---|---|
| CAS | 149105-19-1 |
| Molecular Weight (g/mol) | 165.939 |
| MDL Number | MFCD01318118 |
| SMILES | B(C1=CC=CC=C1C(=O)O)(O)O |
| Synonym | 2-carboxyphenylboronic acid,2-dihydroxyboranyl benzoic acid,2-carboxybenzeneboronic acid,2-dihydroxyboronyl benzoic acid,2-dihydroxyboryl benzoic acid,carboxyphenylboronic acid,benzoic acid, 2-borono,o-carboxyphenylboronic acid,2-carboxyphenylboronicacid,borobenzoesaure |
| IUPAC Name | 2-boronobenzoic acid |
| InChI Key | KWNPRVWFJOSGMZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
1-Acetylisatin, 97%
CAS: 574-17-4 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00158542 InChI Key: LPGDEHBASRKTDG-UHFFFAOYSA-N Synonym: 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin PubChem CID: 11321 ChEBI: CHEBI:16050 IUPAC Name: 1-acetylindole-2,3-dione SMILES: CC(=O)N1C(=O)C(=O)C2=CC=CC=C12
| PubChem CID | 11321 |
|---|---|
| CAS | 574-17-4 |
| Molecular Weight (g/mol) | 189.17 |
| ChEBI | CHEBI:16050 |
| MDL Number | MFCD00158542 |
| SMILES | CC(=O)N1C(=O)C(=O)C2=CC=CC=C12 |
| Synonym | 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin |
| IUPAC Name | 1-acetylindole-2,3-dione |
| InChI Key | LPGDEHBASRKTDG-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
Methyl isobutyrate, 98%
CAS: 547-63-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008914 InChI Key: BHIWKHZACMWKOJ-UHFFFAOYSA-N Synonym: methyl isobutyrate,methyl 2-methylpropionate,methyl isobutanoate,propanoic acid, 2-methyl-, methyl ester,isobutyric acid, methyl ester,methylisobutyrate,isobutyric acid methyl ester,poly d-lactide,methyl isobutyrate natural,methylester kyseliny isomaselne PubChem CID: 11039 ChEBI: CHEBI:73689 IUPAC Name: methyl 2-methylpropanoate SMILES: CC(C)C(=O)OC
| PubChem CID | 11039 |
|---|---|
| CAS | 547-63-7 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:73689 |
| MDL Number | MFCD00008914 |
| SMILES | CC(C)C(=O)OC |
| Synonym | methyl isobutyrate,methyl 2-methylpropionate,methyl isobutanoate,propanoic acid, 2-methyl-, methyl ester,isobutyric acid, methyl ester,methylisobutyrate,isobutyric acid methyl ester,poly d-lactide,methyl isobutyrate natural,methylester kyseliny isomaselne |
| IUPAC Name | methyl 2-methylpropanoate |
| InChI Key | BHIWKHZACMWKOJ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Diethyl acetylenedicarboxylate, 96%
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 4-aminobenzoate, 98%
CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N
| PubChem CID | 12082 |
|---|---|
| CAS | 619-45-4 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007891 |
| SMILES | COC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester |
| IUPAC Name | methyl 4-aminobenzoate |
| InChI Key | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Methyl bromoacetate, 98+%
CAS: 96-32-2 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.975 MDL Number: MFCD00000189 InChI Key: YDCHPLOFQATIDS-UHFFFAOYSA-N Synonym: methyl bromoacetate,bromoacetic acid methyl ester,methyl monobromoacetate,acetic acid, bromo-, methyl ester,methyl alpha-bromoacetate,methylbromoacetate,acetic acid, 2-bromo-, methyl ester,methylester kyseliny bromoctove,methyl .alpha.-bromoacetate,methylester kyseliny bromoctove czech PubChem CID: 60984 IUPAC Name: methyl 2-bromoacetate SMILES: COC(=O)CBr
| PubChem CID | 60984 |
|---|---|
| CAS | 96-32-2 |
| Molecular Weight (g/mol) | 152.975 |
| MDL Number | MFCD00000189 |
| SMILES | COC(=O)CBr |
| Synonym | methyl bromoacetate,bromoacetic acid methyl ester,methyl monobromoacetate,acetic acid, bromo-, methyl ester,methyl alpha-bromoacetate,methylbromoacetate,acetic acid, 2-bromo-, methyl ester,methylester kyseliny bromoctove,methyl .alpha.-bromoacetate,methylester kyseliny bromoctove czech |
| IUPAC Name | methyl 2-bromoacetate |
| InChI Key | YDCHPLOFQATIDS-UHFFFAOYSA-N |
| Molecular Formula | C3H5BrO2 |
Methyl 3-(methylthio)propionate, 98%
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-methylsulfanylpropanoate 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-methylsulfanylpropanoate |
| InChI Key | DMMJVMYCBULSIS-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2S |