Organic acids and derivatives
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Methyl p-toluate, 99%
CAS: 99-75-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 7455 |
|---|---|
| CAS | 99-75-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008441 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate |
| IUPAC Name | methyl 4-methylbenzoate |
| InChI Key | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Bismuth Subgallate, Powder, Purified, Approx. 55%, Spectrum™ Chemical
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CAS: 99-26-3
| CAS | 99-26-3 |
|---|
Chloroacetic Acid, Crystal, ACS, 99%, Spectrum™ Chemical
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CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.49 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N IUPAC Name: 2-chloroacetic acid SMILES: OC(=O)CCl
| CAS | 79-11-8 |
|---|---|
| Molecular Weight (g/mol) | 94.49 |
| SMILES | OC(=O)CCl |
| IUPAC Name | 2-chloroacetic acid |
| InChI Key | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Molecular Formula | C2H3ClO2 |
1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester, 95%
CAS: 844891-04-9 Molecular Formula: C12H21BN2O2 Molecular Weight (g/mol): 236.12 MDL Number: MFCD06659062 InChI Key: IZNGYNMIIVJWSO-UHFFFAOYSA-N Synonym: 1,3,5-trimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1,3,5-trimethyl-1h-pyrazole-4-boronic acid pinacol ester,1,3,5-trimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1,3,5-trimethyl-1h-pyrazole-4-boronic acid, pinacol ester,1,3,5-trimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1,3,5-trimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1,3,5-trimethyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,pubchem19369,1,3,5-trimethyl-1h-pyrazole-4-boronic pinacol ester,1,3,5-trimethylpyrazole-4-boronic acid pinacol ester PubChem CID: 2795311 IUPAC Name: 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole SMILES: CN1N=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1C
| PubChem CID | 2795311 |
|---|---|
| CAS | 844891-04-9 |
| Molecular Weight (g/mol) | 236.12 |
| MDL Number | MFCD06659062 |
| SMILES | CN1N=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1C |
| Synonym | 1,3,5-trimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1,3,5-trimethyl-1h-pyrazole-4-boronic acid pinacol ester,1,3,5-trimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1,3,5-trimethyl-1h-pyrazole-4-boronic acid, pinacol ester,1,3,5-trimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1,3,5-trimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1,3,5-trimethyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,pubchem19369,1,3,5-trimethyl-1h-pyrazole-4-boronic pinacol ester,1,3,5-trimethylpyrazole-4-boronic acid pinacol ester |
| IUPAC Name | 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI Key | IZNGYNMIIVJWSO-UHFFFAOYSA-N |
| Molecular Formula | C12H21BN2O2 |
Ethyl 2,2-diethylacetoacetate, 97%
CAS: 1619-57-4 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.251 MDL Number: MFCD00048552 InChI Key: WEIQRLLXVVSKIL-UHFFFAOYSA-N Synonym: ethyl 2,2-diethylacetoacetate,butanoic acid, 2,2-diethyl-3-oxo-, ethyl ester,diethyl acetoacetate,acmc-20al1q,acetoacetic acid, 2,2-diethyl-, ethyl ester,2,2-diethylacetoacetic acid ethyl ester,2-ethyl-2-acetylbutyric acid ethyl ester,2,2-diethyl-3-oxo-butyric acid ethyl ester,butanoic acid,2,2-diethyl-3-oxo-, ethyl ester PubChem CID: 538781 IUPAC Name: ethyl 2,2-diethyl-3-oxobutanoate SMILES: CCC(CC)(C(=O)C)C(=O)OCC
| PubChem CID | 538781 |
|---|---|
| CAS | 1619-57-4 |
| Molecular Weight (g/mol) | 186.251 |
| MDL Number | MFCD00048552 |
| SMILES | CCC(CC)(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2,2-diethylacetoacetate,butanoic acid, 2,2-diethyl-3-oxo-, ethyl ester,diethyl acetoacetate,acmc-20al1q,acetoacetic acid, 2,2-diethyl-, ethyl ester,2,2-diethylacetoacetic acid ethyl ester,2-ethyl-2-acetylbutyric acid ethyl ester,2,2-diethyl-3-oxo-butyric acid ethyl ester,butanoic acid,2,2-diethyl-3-oxo-, ethyl ester |
| IUPAC Name | ethyl 2,2-diethyl-3-oxobutanoate |
| InChI Key | WEIQRLLXVVSKIL-UHFFFAOYSA-N |
| Molecular Formula | C10H18O3 |
Acrylic acid, 98%, extra pure, stabilized
CAS: 79-10-7 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.06 MDL Number: MFCD00004367 InChI Key: NIXOWILDQLNWCW-UHFFFAOYSA-N Synonym: acrylic acid,2-propenoic acid,propenoic acid,vinylformic acid,acroleic acid,propene acid,ethylenecarboxylic acid,polyacrylate,propenoate,carbomer PubChem CID: 6581 ChEBI: CHEBI:18308 IUPAC Name: prop-2-enoic acid SMILES: C=CC(=O)O
| PubChem CID | 6581 |
|---|---|
| CAS | 79-10-7 |
| Molecular Weight (g/mol) | 72.06 |
| ChEBI | CHEBI:18308 |
| MDL Number | MFCD00004367 |
| SMILES | C=CC(=O)O |
| Synonym | acrylic acid,2-propenoic acid,propenoic acid,vinylformic acid,acroleic acid,propene acid,ethylenecarboxylic acid,polyacrylate,propenoate,carbomer |
| IUPAC Name | prop-2-enoic acid |
| InChI Key | NIXOWILDQLNWCW-UHFFFAOYSA-N |
| Molecular Formula | C3H4O2 |
Ethyl phenylcyanoacetate, 97%
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| CAS | 4553-07-5 |
|---|---|
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |
1,1,3,3-Tetraethylurea, 99%
CAS: 1187-03-7 Molecular Formula: C9H20N2O Molecular Weight (g/mol): 172.272 MDL Number: MFCD00042881 InChI Key: UWHSPZZUAYSGTB-UHFFFAOYSA-N Synonym: tetraethylurea,urea, tetraethyl,n,n,n',n'-tetraethylurea,unii-w511x6rp5r,urea, 1,1,3,3-tetraethyl,urea, n,n,n',n'-tetraethyl,teu,tetraethyl-urea,urea,tetraethyl,1,1,3,3-tetraethyl-ure PubChem CID: 14465 IUPAC Name: 1,1,3,3-tetraethylurea SMILES: CCN(CC)C(=O)N(CC)CC
| PubChem CID | 14465 |
|---|---|
| CAS | 1187-03-7 |
| Molecular Weight (g/mol) | 172.272 |
| MDL Number | MFCD00042881 |
| SMILES | CCN(CC)C(=O)N(CC)CC |
| Synonym | tetraethylurea,urea, tetraethyl,n,n,n',n'-tetraethylurea,unii-w511x6rp5r,urea, 1,1,3,3-tetraethyl,urea, n,n,n',n'-tetraethyl,teu,tetraethyl-urea,urea,tetraethyl,1,1,3,3-tetraethyl-ure |
| IUPAC Name | 1,1,3,3-tetraethylurea |
| InChI Key | UWHSPZZUAYSGTB-UHFFFAOYSA-N |
| Molecular Formula | C9H20N2O |
2,2,6-Trimethyl-1,3-dioxin-4-one, cont. up to ca 6% acetone
CAS: 5394-63-8 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00040468 InChI Key: XFRBXZCBOYNMJP-UHFFFAOYSA-N Synonym: 2,2,6-trimethyl-4h-1,3-dioxin-4-one,2,2,4-trimethyl-6-keto-1,3-dioxin,diketene acetone adduct,4h-1,3-dioxin-4-one, 2,2,6-trimethyl,2,2,6-trimethyl-1,3-dioxen-4-one,2,2,6-trimethyl-1,3-dioxine-4-one,2,2,6-trimethyl-1,3 dioxin-4-one,pubchem20364,2,2,6-trimethyl-4h-1,3-dioxin-4-on,acmc-1akcb PubChem CID: 79368 IUPAC Name: 2,2,6-trimethyl-1,3-dioxin-4-one SMILES: CC1=CC(=O)OC(O1)(C)C
| PubChem CID | 79368 |
|---|---|
| CAS | 5394-63-8 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00040468 |
| SMILES | CC1=CC(=O)OC(O1)(C)C |
| Synonym | 2,2,6-trimethyl-4h-1,3-dioxin-4-one,2,2,4-trimethyl-6-keto-1,3-dioxin,diketene acetone adduct,4h-1,3-dioxin-4-one, 2,2,6-trimethyl,2,2,6-trimethyl-1,3-dioxen-4-one,2,2,6-trimethyl-1,3-dioxine-4-one,2,2,6-trimethyl-1,3 dioxin-4-one,pubchem20364,2,2,6-trimethyl-4h-1,3-dioxin-4-on,acmc-1akcb |
| IUPAC Name | 2,2,6-trimethyl-1,3-dioxin-4-one |
| InChI Key | XFRBXZCBOYNMJP-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
N-Boc-2-methyl-D-serine, 97%, Thermo Scientific Chemicals
CAS: 84311-18-2 Molecular Formula: C9H17NO5 Molecular Weight (g/mol): 219.237 MDL Number: MFCD02682596 InChI Key: FWRXDSRYWWYTPD-SECBINFHSA-N Synonym: r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,n-boc-alpha-methyl-d-serine,boc-alpha-methyl-d-ser,boc-me-d-ser-oh,2r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,boc-d-alpha-methylserine,boc-a-methyl-d-ser,n-boc-a-methyl-d-serine,n-boc-2-methyl-d-serine,n-tert-butoxycarbonyl-2-methyl-d-serine PubChem CID: 24749404 IUPAC Name: (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(C)(CO)C(=O)O
| PubChem CID | 24749404 |
|---|---|
| CAS | 84311-18-2 |
| Molecular Weight (g/mol) | 219.237 |
| MDL Number | MFCD02682596 |
| SMILES | CC(C)(C)OC(=O)NC(C)(CO)C(=O)O |
| Synonym | r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,n-boc-alpha-methyl-d-serine,boc-alpha-methyl-d-ser,boc-me-d-ser-oh,2r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,boc-d-alpha-methylserine,boc-a-methyl-d-ser,n-boc-a-methyl-d-serine,n-boc-2-methyl-d-serine,n-tert-butoxycarbonyl-2-methyl-d-serine |
| IUPAC Name | (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI Key | FWRXDSRYWWYTPD-SECBINFHSA-N |
| Molecular Formula | C9H17NO5 |
Isoquinoline-4-boronic acid 2,2-dimethylpropanediol-1,3 cyclic ester, 97%, Thermo Scientific™
CAS: 844891-01-6 Molecular Formula: C14H16BNO2 Molecular Weight (g/mol): 241.10 MDL Number: MFCD06659058 InChI Key: AQEZCUCPPAKCLQ-UHFFFAOYSA-N Synonym: 4-5,5-dimethyl-1,3,2-dioxaborinan-2-yl isoquinoline,isoquinoline-4-boronic acid 2,2-dimethylpropanediol-1,3 cyclic ester,isoquinoline-4-boronic acid, 2,2-dimethylpropane-1,3-diol cyclic ester,isoquinoline-4-boronic acid neopentyl glycol ester,3 cyclic ester,akos brn-0509,2-dimethylpropanediol-1,isoquinoline-4-boronic acid 2,2-4-isoquinolyl-5,5-dimethyl-1,3,2-dioxaborane,isoquinoline,4-5,5-dimethyl-1,3,2-dioxaborinan-2-yl PubChem CID: 2795158 IUPAC Name: 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline SMILES: CC1(C)COB(OC1)C1=CN=CC2=CC=CC=C12
| PubChem CID | 2795158 |
|---|---|
| CAS | 844891-01-6 |
| Molecular Weight (g/mol) | 241.10 |
| MDL Number | MFCD06659058 |
| SMILES | CC1(C)COB(OC1)C1=CN=CC2=CC=CC=C12 |
| Synonym | 4-5,5-dimethyl-1,3,2-dioxaborinan-2-yl isoquinoline,isoquinoline-4-boronic acid 2,2-dimethylpropanediol-1,3 cyclic ester,isoquinoline-4-boronic acid, 2,2-dimethylpropane-1,3-diol cyclic ester,isoquinoline-4-boronic acid neopentyl glycol ester,3 cyclic ester,akos brn-0509,2-dimethylpropanediol-1,isoquinoline-4-boronic acid 2,2-4-isoquinolyl-5,5-dimethyl-1,3,2-dioxaborane,isoquinoline,4-5,5-dimethyl-1,3,2-dioxaborinan-2-yl |
| IUPAC Name | 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline |
| InChI Key | AQEZCUCPPAKCLQ-UHFFFAOYSA-N |
| Molecular Formula | C14H16BNO2 |
2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate, ≥98.0% (HPLC), MilliporeSigma™ Supelco™
MDL Number: MFCD00043085 Synonym: GITC
| MDL Number | MFCD00043085 |
|---|---|
| Synonym | GITC |
Isopropenyl acetate, 99%
CAS: 108-22-5 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008709 InChI Key: HETCEOQFVDFGSY-UHFFFAOYSA-N Synonym: isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate PubChem CID: 7916 IUPAC Name: prop-1-en-2-yl acetate SMILES: CC(=C)OC(C)=O
| PubChem CID | 7916 |
|---|---|
| CAS | 108-22-5 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008709 |
| SMILES | CC(=C)OC(C)=O |
| Synonym | isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate |
| IUPAC Name | prop-1-en-2-yl acetate |
| InChI Key | HETCEOQFVDFGSY-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Spectrum Chemical Manufacturing Corporation Dimethyl Carbonate, 99%, Spectrum™ Chemical
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CAS: 616-38-6
| CAS | 616-38-6 |
|---|
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 |