Organic acids and derivatives
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Quinoxaline-5-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 6924-66-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.16 MDL Number: MFCD02854494 InChI Key: QLZNISOPACYKOR-UHFFFAOYSA-N Synonym: 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid PubChem CID: 776833 IUPAC Name: quinoxaline-5-carboxylic acid SMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O
| PubChem CID | 776833 |
|---|---|
| CAS | 6924-66-9 |
| Molecular Weight (g/mol) | 174.16 |
| MDL Number | MFCD02854494 |
| SMILES | C1=CC(=C2C(=C1)N=CC=N2)C(=O)O |
| Synonym | 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid |
| IUPAC Name | quinoxaline-5-carboxylic acid |
| InChI Key | QLZNISOPACYKOR-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
7-Hydroxy-1-indanone, 97%
CAS: 6968-35-0 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD01548387 InChI Key: HFMZPBSZKCDKOR-UHFFFAOYSA-N Synonym: 7-hydroxy-1-indanone,7-hydroxy-2,3-dihydro-1h-inden-1-one,7-hydroxyindan-1-one,1h-inden-1-one,2,3-dihydro-7-hydroxy,4h-inden-4-one, 1,2-dihydro-3-hydroxy,7-oxidanyl-2,3-dihydroinden-1-one,7-hydroxyindanone,acmc-20mvbk,pubchem23254,acmc-209wv8 PubChem CID: 248078 IUPAC Name: 7-hydroxy-2,3-dihydro-1H-inden-1-one SMILES: OC1=CC=CC2=C1C(=O)CC2
| PubChem CID | 248078 |
|---|---|
| CAS | 6968-35-0 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD01548387 |
| SMILES | OC1=CC=CC2=C1C(=O)CC2 |
| Synonym | 7-hydroxy-1-indanone,7-hydroxy-2,3-dihydro-1h-inden-1-one,7-hydroxyindan-1-one,1h-inden-1-one,2,3-dihydro-7-hydroxy,4h-inden-4-one, 1,2-dihydro-3-hydroxy,7-oxidanyl-2,3-dihydroinden-1-one,7-hydroxyindanone,acmc-20mvbk,pubchem23254,acmc-209wv8 |
| IUPAC Name | 7-hydroxy-2,3-dihydro-1H-inden-1-one |
| InChI Key | HFMZPBSZKCDKOR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Methyl formate, 97%, may cont. up to ca 3% methanol
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Methyl 3-cyclohexenecarboxylate, 97%, Thermo Scientific™
CAS: 6493-77-2 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00053266 InChI Key: IPUNVLFESXFVFH-UHFFFAOYNA-N Synonym: methyl cyclohex-3-enecarboxylate,3-cyclohexene-1-carboxylic acid methyl ester,methyl 3-cyclohexenecarboxylate,3-cyclohexene-1-carboxylic acid, methyl ester,methyl 3-cyclohexene-1-carboxylate,1-carbomethoxy-3-cyclohexene,methyl 4-cyclohexenecarboxylate,methyl 1,2,3,6-tetrahydrobenzoate,1,3-butadiene-methyl acrylate adduct,acmc-1bity PubChem CID: 96926 IUPAC Name: methyl cyclohex-3-ene-1-carboxylate SMILES: COC(=O)C1CCC=CC1
| PubChem CID | 96926 |
|---|---|
| CAS | 6493-77-2 |
| Molecular Weight (g/mol) | 140.18 |
| MDL Number | MFCD00053266 |
| SMILES | COC(=O)C1CCC=CC1 |
| Synonym | methyl cyclohex-3-enecarboxylate,3-cyclohexene-1-carboxylic acid methyl ester,methyl 3-cyclohexenecarboxylate,3-cyclohexene-1-carboxylic acid, methyl ester,methyl 3-cyclohexene-1-carboxylate,1-carbomethoxy-3-cyclohexene,methyl 4-cyclohexenecarboxylate,methyl 1,2,3,6-tetrahydrobenzoate,1,3-butadiene-methyl acrylate adduct,acmc-1bity |
| IUPAC Name | methyl cyclohex-3-ene-1-carboxylate |
| InChI Key | IPUNVLFESXFVFH-UHFFFAOYNA-N |
| Molecular Formula | C8H12O2 |
Methyl 3-oxocyclobutanecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 695-95-4 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00604222 InChI Key: IHLHSAIBOSSHQV-UHFFFAOYSA-N Synonym: methyl 3-oxocyclobutanecarboxylate,methyl 3-oxo-cyclobutanecarboxylate,3-methoxycarbonylcyclobutanone,cyclobutanecarboxylic acid, 3-oxo-, methyl ester,3-oxocyclobutanecarboxylic acid methyl ester,ksc630k4p,methyl 3-oxocyclobutane carboxylate,3-oxo-1-cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylicacid, 3-oxo-, methyl ester PubChem CID: 13992367 IUPAC Name: methyl 3-oxocyclobutane-1-carboxylate SMILES: COC(=O)C1CC(=O)C1
| PubChem CID | 13992367 |
|---|---|
| CAS | 695-95-4 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00604222 |
| SMILES | COC(=O)C1CC(=O)C1 |
| Synonym | methyl 3-oxocyclobutanecarboxylate,methyl 3-oxo-cyclobutanecarboxylate,3-methoxycarbonylcyclobutanone,cyclobutanecarboxylic acid, 3-oxo-, methyl ester,3-oxocyclobutanecarboxylic acid methyl ester,ksc630k4p,methyl 3-oxocyclobutane carboxylate,3-oxo-1-cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylicacid, 3-oxo-, methyl ester |
| IUPAC Name | methyl 3-oxocyclobutane-1-carboxylate |
| InChI Key | IHLHSAIBOSSHQV-UHFFFAOYSA-N |
| Molecular Formula | C6H8O3 |
Butyl Butyrate, 98%, Spectrum™ Chemical
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CAS: 109-21-7
| CAS | 109-21-7 |
|---|
5,5-Dimethylhydantoin, 97%
CAS: 77-71-4 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005266 InChI Key: YIROYDNZEPTFOL-UHFFFAOYSA-N Synonym: 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin PubChem CID: 6491 IUPAC Name: 5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C)NC(=O)NC1=O
| PubChem CID | 6491 |
|---|---|
| CAS | 77-71-4 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00005266 |
| SMILES | CC1(C)NC(=O)NC1=O |
| Synonym | 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin |
| IUPAC Name | 5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | YIROYDNZEPTFOL-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O2 |
Benzylphosphonic acid, 98%
CAS: 6881-57-8 Molecular Formula: C7H7O3P Molecular Weight (g/mol): 170.11 MDL Number: MFCD00039519 InChI Key: OGBVRMYSNSKIEF-UHFFFAOYSA-L Synonym: benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 PubChem CID: 81312 IUPAC Name: benzylphosphonic acid SMILES: [O-]P([O-])(=O)CC1=CC=CC=C1
| PubChem CID | 81312 |
|---|---|
| CAS | 6881-57-8 |
| Molecular Weight (g/mol) | 170.11 |
| MDL Number | MFCD00039519 |
| SMILES | [O-]P([O-])(=O)CC1=CC=CC=C1 |
| Synonym | benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 |
| IUPAC Name | benzylphosphonic acid |
| InChI Key | OGBVRMYSNSKIEF-UHFFFAOYSA-L |
| Molecular Formula | C7H7O3P |
Isonicotinic acid hydrazide, 98+%
CAS: 54-85-3 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.142 MDL Number: MFCD00006426 InChI Key: QRXWMOHMRWLFEY-UHFFFAOYSA-N Synonym: isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide PubChem CID: 3767 ChEBI: CHEBI:6030 IUPAC Name: pyridine-4-carbohydrazide SMILES: C1=CN=CC=C1C(=O)NN
| PubChem CID | 3767 |
|---|---|
| CAS | 54-85-3 |
| Molecular Weight (g/mol) | 137.142 |
| ChEBI | CHEBI:6030 |
| MDL Number | MFCD00006426 |
| SMILES | C1=CN=CC=C1C(=O)NN |
| Synonym | isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide |
| IUPAC Name | pyridine-4-carbohydrazide |
| InChI Key | QRXWMOHMRWLFEY-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Di-n-butyl carbonate
CAS: 542-52-9 Molecular Formula: C9H18O3 Molecular Weight (g/mol): 174.24 InChI Key: QLVWOKQMDLQXNN-UHFFFAOYSA-N IUPAC Name: dibutyl carbonate SMILES: CCCCOC(=O)OCCCC
| CAS | 542-52-9 |
|---|---|
| Molecular Weight (g/mol) | 174.24 |
| SMILES | CCCCOC(=O)OCCCC |
| IUPAC Name | dibutyl carbonate |
| InChI Key | QLVWOKQMDLQXNN-UHFFFAOYSA-N |
| Molecular Formula | C9H18O3 |
1-Acetylindoline-5-sulfonyl chloride, 97%
CAS: 52206-05-0 Molecular Formula: C10H10ClNO3S Molecular Weight (g/mol): 259.70 MDL Number: MFCD07368558 InChI Key: QNFXLCHANYHGIF-UHFFFAOYSA-N Synonym: 1-acetyl-2,3-dihydro-1h-indole-5-sulfonyl chloride,1-acetylindoline-5-sulfonyl chloride,1-acetyl-5-indolinesulfonoyl chloride,1h-indole-5-sulfonyl chloride, 1-acetyl-2,3-dihydro,1-acetyl-5-indolinesulfonyl chloride,n-acetylindoline-5-sulphonyl chloride,1-acetyl-5-chlorosulfonyl indoline,1-acetylindoline-5-sulfonylchloride,pubchem5449,acetylindolinesulfonoylchloride PubChem CID: 14024596 IUPAC Name: 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride SMILES: CC(=O)N1CCC2=C1C=CC(=C2)S(Cl)(=O)=O
| PubChem CID | 14024596 |
|---|---|
| CAS | 52206-05-0 |
| Molecular Weight (g/mol) | 259.70 |
| MDL Number | MFCD07368558 |
| SMILES | CC(=O)N1CCC2=C1C=CC(=C2)S(Cl)(=O)=O |
| Synonym | 1-acetyl-2,3-dihydro-1h-indole-5-sulfonyl chloride,1-acetylindoline-5-sulfonyl chloride,1-acetyl-5-indolinesulfonoyl chloride,1h-indole-5-sulfonyl chloride, 1-acetyl-2,3-dihydro,1-acetyl-5-indolinesulfonyl chloride,n-acetylindoline-5-sulphonyl chloride,1-acetyl-5-chlorosulfonyl indoline,1-acetylindoline-5-sulfonylchloride,pubchem5449,acetylindolinesulfonoylchloride |
| IUPAC Name | 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride |
| InChI Key | QNFXLCHANYHGIF-UHFFFAOYSA-N |
| Molecular Formula | C10H10ClNO3S |
5,5-Dimethylhydantoin, 97%
CAS: 77-71-4 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005266 InChI Key: YIROYDNZEPTFOL-UHFFFAOYSA-N Synonym: 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin PubChem CID: 6491 IUPAC Name: 5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C)NC(=O)NC1=O
| PubChem CID | 6491 |
|---|---|
| CAS | 77-71-4 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00005266 |
| SMILES | CC1(C)NC(=O)NC1=O |
| Synonym | 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin |
| IUPAC Name | 5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | YIROYDNZEPTFOL-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O2 |
Isosorbide mononitrate, 98+%
CAS: 16051-77-7 Molecular Formula: C6H9NO6 Molecular Weight (g/mol): 191.139 MDL Number: MFCD00143462 InChI Key: YWXYYJSYQOXTPL-SLPGGIOYSA-N Synonym: isosorbide mononitrate,isosorbide 5-mononitrate,monosorbitrate,imdur,elantan,monoket,mononit,corangin,ismn,isosorbide 5-nitrate PubChem CID: 27661 ChEBI: CHEBI:6062 IUPAC Name: [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate SMILES: C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O
| PubChem CID | 27661 |
|---|---|
| CAS | 16051-77-7 |
| Molecular Weight (g/mol) | 191.139 |
| ChEBI | CHEBI:6062 |
| MDL Number | MFCD00143462 |
| SMILES | C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O |
| Synonym | isosorbide mononitrate,isosorbide 5-mononitrate,monosorbitrate,imdur,elantan,monoket,mononit,corangin,ismn,isosorbide 5-nitrate |
| IUPAC Name | [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate |
| InChI Key | YWXYYJSYQOXTPL-SLPGGIOYSA-N |
| Molecular Formula | C6H9NO6 |
Methyle3-hydroxybenzo[b]thiophene-2-carboxylate, 97%, Thermo Scientific™
CAS: 13134-76-4 Molecular Formula: C10H8O3S Molecular Weight (g/mol): 208.23 MDL Number: MFCD00067732 InChI Key: JVUOTPTULVZUTL-KTKRTIGZSA-N Synonym: methyl 3-hydroxybenzo b thiophene-2-carboxylate,methyl 3-hydroxybenzo b thiophene-3-carboxylate,2-hydroxy methoxy methylidene-1-benzothiophen-3-one,2z-2-hydroxy methoxy methylidene-1-benzothiophen-3-one,benzo b thiophene-2-carboxylicacid, 3-hydroxy-, methyl ester,benzo b thiophene-2-carboxylic acid, 3-hydroxy-, methyl ester,maybridge4_000295,methyl 3-hydroxy-benzothiophene2-carboxylate PubChem CID: 83165 SMILES: CO\C(O)=C1/SC2=CC=CC=C2C1=O
| PubChem CID | 83165 |
|---|---|
| CAS | 13134-76-4 |
| Molecular Weight (g/mol) | 208.23 |
| MDL Number | MFCD00067732 |
| SMILES | CO\C(O)=C1/SC2=CC=CC=C2C1=O |
| Synonym | methyl 3-hydroxybenzo b thiophene-2-carboxylate,methyl 3-hydroxybenzo b thiophene-3-carboxylate,2-hydroxy methoxy methylidene-1-benzothiophen-3-one,2z-2-hydroxy methoxy methylidene-1-benzothiophen-3-one,benzo b thiophene-2-carboxylicacid, 3-hydroxy-, methyl ester,benzo b thiophene-2-carboxylic acid, 3-hydroxy-, methyl ester,maybridge4_000295,methyl 3-hydroxy-benzothiophene2-carboxylate |
| InChI Key | JVUOTPTULVZUTL-KTKRTIGZSA-N |
| Molecular Formula | C10H8O3S |