Carboxylic acids and derivatives
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5,6-Dihydrouracil, 97%
CAS: 504-07-4 Molecular Formula: C4H6N2O2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00006029 InChI Key: OIVLITBTBDPEFK-UHFFFAOYSA-N Synonym: dihydrouracil,5,6-dihydrouracil,hydrouracil,5,6-dihydro-2,4-dihydroxypyrimidine,dihydropyrimidine-2,4 1h,3h-dione,dihydrouracile,2,4 1h,3h-pyrimidinedione, dihydro,di-h-uracil,dihydro-2,4 1h,3h-pyrimidinedione,hydrouracil 8ci PubChem CID: 649 ChEBI: CHEBI:15901 IUPAC Name: 1,3-diazinane-2,4-dione SMILES: O=C1CCNC(=O)N1
| PubChem CID | 649 |
|---|---|
| CAS | 504-07-4 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:15901 |
| MDL Number | MFCD00006029 |
| SMILES | O=C1CCNC(=O)N1 |
| Synonym | dihydrouracil,5,6-dihydrouracil,hydrouracil,5,6-dihydro-2,4-dihydroxypyrimidine,dihydropyrimidine-2,4 1h,3h-dione,dihydrouracile,2,4 1h,3h-pyrimidinedione, dihydro,di-h-uracil,dihydro-2,4 1h,3h-pyrimidinedione,hydrouracil 8ci |
| IUPAC Name | 1,3-diazinane-2,4-dione |
| InChI Key | OIVLITBTBDPEFK-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2O2 |
2-Ethylhexyl acetate, 99%, pure
CAS: 103-09-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00027249 InChI Key: WOYWLLHHWAMFCB-UHFFFAOYNA-N Synonym: acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove PubChem CID: 7635 ChEBI: CHEBI:87392 IUPAC Name: 2-ethylhexyl acetate SMILES: CCCCC(CC)COC(C)=O
| PubChem CID | 7635 |
|---|---|
| CAS | 103-09-3 |
| Molecular Weight (g/mol) | 172.27 |
| ChEBI | CHEBI:87392 |
| MDL Number | MFCD00027249 |
| SMILES | CCCCC(CC)COC(C)=O |
| Synonym | acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove |
| IUPAC Name | 2-ethylhexyl acetate |
| InChI Key | WOYWLLHHWAMFCB-UHFFFAOYNA-N |
| Molecular Formula | C10H20O2 |
Benzyl cyanoacetate, 97%
CAS: 14447-18-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00051719 InChI Key: RCUIWQWWDLZNMS-UHFFFAOYSA-N Synonym: benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid PubChem CID: 560818 IUPAC Name: benzyl 2-cyanoacetate SMILES: O=C(CC#N)OCC1=CC=CC=C1
| PubChem CID | 560818 |
|---|---|
| CAS | 14447-18-8 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00051719 |
| SMILES | O=C(CC#N)OCC1=CC=CC=C1 |
| Synonym | benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid |
| IUPAC Name | benzyl 2-cyanoacetate |
| InChI Key | RCUIWQWWDLZNMS-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Benzothiazole-6-carboxylic acid, 96%
CAS: 3622-35-3 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.19 MDL Number: MFCD00111651 InChI Key: DMPZJACLHDWUFS-UHFFFAOYSA-N Synonym: benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 PubChem CID: 601670 IUPAC Name: 1,3-benzothiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CSC2=C1
| PubChem CID | 601670 |
|---|---|
| CAS | 3622-35-3 |
| Molecular Weight (g/mol) | 179.19 |
| MDL Number | MFCD00111651 |
| SMILES | OC(=O)C1=CC=C2N=CSC2=C1 |
| Synonym | benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 |
| IUPAC Name | 1,3-benzothiazole-6-carboxylic acid |
| InChI Key | DMPZJACLHDWUFS-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2S |
5-Methylindole-2-carboxylic acid, 99%
CAS: 10241-97-1 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00047166 InChI Key: DAITVOCMWPNFTL-UHFFFAOYSA-N Synonym: 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,# PubChem CID: 259188 IUPAC Name: 5-methyl-1H-indole-2-carboxylic acid SMILES: CC1=CC=C2NC(=CC2=C1)C(O)=O
| PubChem CID | 259188 |
|---|---|
| CAS | 10241-97-1 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00047166 |
| SMILES | CC1=CC=C2NC(=CC2=C1)C(O)=O |
| Synonym | 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,# |
| IUPAC Name | 5-methyl-1H-indole-2-carboxylic acid |
| InChI Key | DAITVOCMWPNFTL-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
alpha-D-Galactose pentaacetate
CAS: 4163-59-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose PubChem CID: 6432426 ChEBI: CHEBI:63145 IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 6432426 |
|---|---|
| CAS | 4163-59-1 |
| Molecular Weight (g/mol) | 390.34 |
| ChEBI | CHEBI:63145 |
| MDL Number | MFCD00064081 |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
| Molecular Formula | C16H22O11 |
N,N-Dimethylformamide, 99.8%, for spectroscopy
CAS: 68-12-2 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.10 MDL Number: MFCD00003284 InChI Key: ZMXDDKWLCZADIW-UHFFFAOYSA-N Synonym: dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa PubChem CID: 6228 ChEBI: CHEBI:17741 IUPAC Name: N,N-dimethylformamide SMILES: CN(C)C=O
| PubChem CID | 6228 |
|---|---|
| CAS | 68-12-2 |
| Molecular Weight (g/mol) | 73.10 |
| ChEBI | CHEBI:17741 |
| MDL Number | MFCD00003284 |
| SMILES | CN(C)C=O |
| Synonym | dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa |
| IUPAC Name | N,N-dimethylformamide |
| InChI Key | ZMXDDKWLCZADIW-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO |
Iron(III) oxalate hexahydrate
CAS: 166897-40-1 Molecular Formula: C6H12Fe2O18 Molecular Weight (g/mol): 483.834 MDL Number: MFCD00054430 InChI Key: FWXIZVVTJVNNRX-UHFFFAOYSA-H Synonym: ferric oxalate hexahydrate PubChem CID: 131849393 IUPAC Name: iron(3+);oxalate;hexahydrate SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3]
| PubChem CID | 131849393 |
|---|---|
| CAS | 166897-40-1 |
| Molecular Weight (g/mol) | 483.834 |
| MDL Number | MFCD00054430 |
| SMILES | C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3] |
| Synonym | ferric oxalate hexahydrate |
| IUPAC Name | iron(3+);oxalate;hexahydrate |
| InChI Key | FWXIZVVTJVNNRX-UHFFFAOYSA-H |
| Molecular Formula | C6H12Fe2O18 |
Sodium Citrate, Anhydrous, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 68-04-2 |
|---|---|
| Molecular Weight (g/mol) | 258.07 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | trisodium 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
1,3,5-Tri(4-carboxyphenyl)benzene, 97%
CAS: 50446-44-1 Molecular Formula: C27H18O6 Molecular Weight (g/mol): 438.44 MDL Number: MFCD10000888 InChI Key: SATWKVZGMWCXOJ-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-carboxyphenyl benzene,1,3,5-tri 4-carboxyphenyl benzene,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylic acid,1,1':3',1-terphenyl-4,4-dicarboxylic acid, 5'-4-carboxyphenyl,acmc-209kmn,h3btb,4,4?,4??,-benzene-1,3,5-triyl-tris benzoic acid,1,3,5-tris 4-carboxyphenyl benzene, ≤20 wt. % solvent,3',5'-bis 4-carboxyphenyl-1,1'-biphenyl-4-carboxylic acid,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylicacid PubChem CID: 10694305 IUPAC Name: 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 10694305 |
|---|---|
| CAS | 50446-44-1 |
| Molecular Weight (g/mol) | 438.44 |
| MDL Number | MFCD10000888 |
| SMILES | OC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O |
| Synonym | 1,3,5-tris 4-carboxyphenyl benzene,1,3,5-tri 4-carboxyphenyl benzene,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylic acid,1,1':3',1-terphenyl-4,4-dicarboxylic acid, 5'-4-carboxyphenyl,acmc-209kmn,h3btb,4,4?,4??,-benzene-1,3,5-triyl-tris benzoic acid,1,3,5-tris 4-carboxyphenyl benzene, ≤20 wt. % solvent,3',5'-bis 4-carboxyphenyl-1,1'-biphenyl-4-carboxylic acid,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylicacid |
| IUPAC Name | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid |
| InChI Key | SATWKVZGMWCXOJ-UHFFFAOYSA-N |
| Molecular Formula | C27H18O6 |
4-(p-Tolyl)butyric acid, 97%
CAS: 4521-22-6 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00021786 InChI Key: IXWOVMRDYFFXGI-UHFFFAOYSA-N Synonym: 4-p-tolyl butanoic acid,4-p-tolyl butyric acid,4-4-methylphenyl butanoic acid,benzenebutanoic acid, 4-methyl,4-p-tolylbutyric acid,4-para-tolyl-butyric acid,4-4-methylphenyl butyric acid,4-p-tolyl butanoicacid,4-p-tolylbutanoic acid,4-p-tolyl-butyric acid PubChem CID: 78279 IUPAC Name: 4-(4-methylphenyl)butanoic acid SMILES: CC1=CC=C(C=C1)CCCC(=O)O
| PubChem CID | 78279 |
|---|---|
| CAS | 4521-22-6 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00021786 |
| SMILES | CC1=CC=C(C=C1)CCCC(=O)O |
| Synonym | 4-p-tolyl butanoic acid,4-p-tolyl butyric acid,4-4-methylphenyl butanoic acid,benzenebutanoic acid, 4-methyl,4-p-tolylbutyric acid,4-para-tolyl-butyric acid,4-4-methylphenyl butyric acid,4-p-tolyl butanoicacid,4-p-tolylbutanoic acid,4-p-tolyl-butyric acid |
| IUPAC Name | 4-(4-methylphenyl)butanoic acid |
| InChI Key | IXWOVMRDYFFXGI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Cyanoacetic Acid, Spectrum™ Chemical
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CAS: 372-09-8
| CAS | 372-09-8 |
|---|
2-Chlorobutyramide, 98%, Thermo Scientific Chemicals
CAS: 7462-73-9 Molecular Formula: C4H8ClNO Molecular Weight (g/mol): 121.564 MDL Number: MFCD00041477 InChI Key: VJIOSCMTZVXQQU-UHFFFAOYSA-N Synonym: 2-chlorobutyramide PubChem CID: 344969 IUPAC Name: 2-chlorobutanamide SMILES: CCC(C(=O)N)Cl
| PubChem CID | 344969 |
|---|---|
| CAS | 7462-73-9 |
| Molecular Weight (g/mol) | 121.564 |
| MDL Number | MFCD00041477 |
| SMILES | CCC(C(=O)N)Cl |
| Synonym | 2-chlorobutyramide |
| IUPAC Name | 2-chlorobutanamide |
| InChI Key | VJIOSCMTZVXQQU-UHFFFAOYSA-N |
| Molecular Formula | C4H8ClNO |
Thermo Scientific Chemicals beta-D-Ribofuranose 1,2,3,5-tetraacetate, 98+%
CAS: 13035-61-5 Molecular Formula: C13H18O9 Molecular Weight (g/mol): 318.27 MDL Number: MFCD00005358 InChI Key: IHNHAHWGVLXCCI-FDYHWXHSSA-N Synonym: beta-d-ribofuranose 1,2,3,5-tetraacetate,tetra-o-acetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-beta-d-ribofuranose,tetraacetylribose,1,2,3,5-tetraacetyl-.-d-ribofuranose,tetra-o-acetyl-b-d-ribofuranose,1,2,3,5-tetraacetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-b-d-ribofuranose,.beta.-d-ribofuranose, tetraacetate,ribofuranose, tetraacetate, .beta.-d PubChem CID: 83064 IUPAC Name: [(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 83064 |
|---|---|
| CAS | 13035-61-5 |
| Molecular Weight (g/mol) | 318.27 |
| MDL Number | MFCD00005358 |
| SMILES | CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | beta-d-ribofuranose 1,2,3,5-tetraacetate,tetra-o-acetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-beta-d-ribofuranose,tetraacetylribose,1,2,3,5-tetraacetyl-.-d-ribofuranose,tetra-o-acetyl-b-d-ribofuranose,1,2,3,5-tetraacetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-b-d-ribofuranose,.beta.-d-ribofuranose, tetraacetate,ribofuranose, tetraacetate, .beta.-d |
| IUPAC Name | [(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate |
| InChI Key | IHNHAHWGVLXCCI-FDYHWXHSSA-N |
| Molecular Formula | C13H18O9 |
3,4,6-Tri-O-acetyl-D-galactal
CAS: 4098-06-0 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.25 MDL Number: MFCD00064092 InChI Key: LLPWGHLVUPBSLP-UHFFFAOYNA-N Synonym: 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal PubChem CID: 640125 IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O
| PubChem CID | 640125 |
|---|---|
| CAS | 4098-06-0 |
| Molecular Weight (g/mol) | 272.25 |
| MDL Number | MFCD00064092 |
| SMILES | CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O |
| Synonym | 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal |
| IUPAC Name | [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UHFFFAOYNA-N |
| Molecular Formula | C12H16O7 |