Organic acids and derivatives
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Ethyl alpha-bromophenylacetate, 97%
CAS: 2882-19-1 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD00013536 InChI Key: BKTKLDMYHTUESO-UHFFFAOYNA-N Synonym: ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate PubChem CID: 97780 IUPAC Name: ethyl 2-bromo-2-phenylacetate SMILES: CCOC(=O)C(Br)C1=CC=CC=C1
| PubChem CID | 97780 |
|---|---|
| CAS | 2882-19-1 |
| Molecular Weight (g/mol) | 243.10 |
| MDL Number | MFCD00013536 |
| SMILES | CCOC(=O)C(Br)C1=CC=CC=C1 |
| Synonym | ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate |
| IUPAC Name | ethyl 2-bromo-2-phenylacetate |
| InChI Key | BKTKLDMYHTUESO-UHFFFAOYNA-N |
| Molecular Formula | C10H11BrO2 |
Sodium chlorodifluoroacetate, 97%
CAS: 1895-39-2 Molecular Formula: C2ClF2NaO2 Molecular Weight (g/mol): 152.457 MDL Number: MFCD00064771 InChI Key: MRTAVLDNYYEJHK-UHFFFAOYSA-M Synonym: sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium PubChem CID: 2734985 IUPAC Name: sodium;2-chloro-2,2-difluoroacetate SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]
| PubChem CID | 2734985 |
|---|---|
| CAS | 1895-39-2 |
| Molecular Weight (g/mol) | 152.457 |
| MDL Number | MFCD00064771 |
| SMILES | C(=O)(C(F)(F)Cl)[O-].[Na+] |
| Synonym | sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium |
| IUPAC Name | sodium;2-chloro-2,2-difluoroacetate |
| InChI Key | MRTAVLDNYYEJHK-UHFFFAOYSA-M |
| Molecular Formula | C2ClF2NaO2 |
Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate, 98%
CAS: 141942-85-0 Molecular Formula: C7H11NO3 Molecular Weight (g/mol): 157.17 MDL Number: MFCD00270839 InChI Key: LOQFROBMBSKWQY-ZCFIWIBFSA-N Synonym: ethyl r---4-cyano-3-hydroxybutyate,ethyl r---4-cyano-3-hydroxybutyrate,ethyl 3r-4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxybutyric acid ethyl ester,r-ethyl 4-cyano-3-hydroxybutyrate,ethyl-r-+-4-cyano-3-hydroxybutanoate,ethyl r-4-cyano-3-hydroxybutyrate,r-ethyl 4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxy-butyric acid ethyl ester,r---4-cyano-3-hydroxybutyric acid ethyl ester PubChem CID: 2733879 IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate SMILES: CCOC(=O)C[C@H](O)CC#N
| PubChem CID | 2733879 |
|---|---|
| CAS | 141942-85-0 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00270839 |
| SMILES | CCOC(=O)C[C@H](O)CC#N |
| Synonym | ethyl r---4-cyano-3-hydroxybutyate,ethyl r---4-cyano-3-hydroxybutyrate,ethyl 3r-4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxybutyric acid ethyl ester,r-ethyl 4-cyano-3-hydroxybutyrate,ethyl-r-+-4-cyano-3-hydroxybutanoate,ethyl r-4-cyano-3-hydroxybutyrate,r-ethyl 4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxy-butyric acid ethyl ester,r---4-cyano-3-hydroxybutyric acid ethyl ester |
| IUPAC Name | ethyl (3R)-4-cyano-3-hydroxybutanoate |
| InChI Key | LOQFROBMBSKWQY-ZCFIWIBFSA-N |
| Molecular Formula | C7H11NO3 |
Ethylphosphonic acid, 98+%, Thermo Scientific Chemicals
CAS: 6779-09-5 Molecular Formula: C2H5O3P Molecular Weight (g/mol): 108.03 MDL Number: MFCD00002141 InChI Key: GATNOFPXSDHULC-UHFFFAOYSA-L
| CAS | 6779-09-5 |
|---|---|
| Molecular Weight (g/mol) | 108.03 |
| MDL Number | MFCD00002141 |
| InChI Key | GATNOFPXSDHULC-UHFFFAOYSA-L |
| Molecular Formula | C2H5O3P |
Isobutyric anhydride, 97%
CAS: 97-72-3 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00008913 InChI Key: LSACYLWPPQLVSM-UHFFFAOYSA-N Synonym: isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride PubChem CID: 7346 ChEBI: CHEBI:84261 IUPAC Name: 2-methylpropanoyl 2-methylpropanoate SMILES: CC(C)C(=O)OC(=O)C(C)C
| PubChem CID | 7346 |
|---|---|
| CAS | 97-72-3 |
| Molecular Weight (g/mol) | 158.2 |
| ChEBI | CHEBI:84261 |
| MDL Number | MFCD00008913 |
| SMILES | CC(C)C(=O)OC(=O)C(C)C |
| Synonym | isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride |
| IUPAC Name | 2-methylpropanoyl 2-methylpropanoate |
| InChI Key | LSACYLWPPQLVSM-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
4-Cyano-2-fluorobenzeneboronic acid, 98%, Thermo Scientific Chemicals
CAS: 1150114-77-4 Molecular Formula: C7H5BFNO2 Molecular Weight (g/mol): 164.93 MDL Number: MFCD07644472 InChI Key: HFAUMAIVCYTVQR-UHFFFAOYSA-N Synonym: 4-cyano-2-fluorophenyl boronic acid,boronic acid, b-4-cyano-2-fluorophenyl,acmc-2099nb,4-borono-3-fluorobenzonitrile,4-cyano-2-fluoro-phenylboronic acid,4-cyano-2-fluorobenzeneboronic acid PubChem CID: 44755209 IUPAC Name: (4-cyano-2-fluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C=C(C=C1)C#N
| PubChem CID | 44755209 |
|---|---|
| CAS | 1150114-77-4 |
| Molecular Weight (g/mol) | 164.93 |
| MDL Number | MFCD07644472 |
| SMILES | OB(O)C1=C(F)C=C(C=C1)C#N |
| Synonym | 4-cyano-2-fluorophenyl boronic acid,boronic acid, b-4-cyano-2-fluorophenyl,acmc-2099nb,4-borono-3-fluorobenzonitrile,4-cyano-2-fluoro-phenylboronic acid,4-cyano-2-fluorobenzeneboronic acid |
| IUPAC Name | (4-cyano-2-fluorophenyl)boronic acid |
| InChI Key | HFAUMAIVCYTVQR-UHFFFAOYSA-N |
| Molecular Formula | C7H5BFNO2 |
Calcium Citrate, Tetrahydrate, Powder, FCC, 97.5-100.5%, Spectrum™ Chemical
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CAS: 5785-44-4 Molecular Formula: C12H18Ca3O18 Molecular Weight (g/mol): 570.49 InChI Key: LNIZKKFWMDARJV-UHFFFAOYSA-H IUPAC Name: tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate) tetrahydrate SMILES: O.O.O.O.[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 5785-44-4 |
|---|---|
| Molecular Weight (g/mol) | 570.49 |
| SMILES | O.O.O.O.[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate) tetrahydrate |
| InChI Key | LNIZKKFWMDARJV-UHFFFAOYSA-H |
| Molecular Formula | C12H18Ca3O18 |
Sodium Propionate, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 137-40-6 Molecular Formula: C3H5NaO2 Molecular Weight (g/mol): 96.06 InChI Key: JXKPEJDQGNYQSM-UHFFFAOYSA-M IUPAC Name: sodium propanoate SMILES: [Na+].CCC([O-])=O
| CAS | 137-40-6 |
|---|---|
| Molecular Weight (g/mol) | 96.06 |
| SMILES | [Na+].CCC([O-])=O |
| IUPAC Name | sodium propanoate |
| InChI Key | JXKPEJDQGNYQSM-UHFFFAOYSA-M |
| Molecular Formula | C3H5NaO2 |
Methyl dimethoxyacetate, 98%
CAS: 89-91-8 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00008484 InChI Key: NZTCVGHPDWAALP-UHFFFAOYSA-N Synonym: methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate PubChem CID: 66647 IUPAC Name: methyl 2,2-dimethoxyacetate SMILES: COC(C(=O)OC)OC
| PubChem CID | 66647 |
|---|---|
| CAS | 89-91-8 |
| Molecular Weight (g/mol) | 134.13 |
| MDL Number | MFCD00008484 |
| SMILES | COC(C(=O)OC)OC |
| Synonym | methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate |
| IUPAC Name | methyl 2,2-dimethoxyacetate |
| InChI Key | NZTCVGHPDWAALP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O4 |
Tri-O-acetyl-D-glucal, 99%
CAS: 2873-29-2 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.25 MDL Number: MFCD00063253 InChI Key: LLPWGHLVUPBSLP-UTUOFQBUSA-N Synonym: tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal PubChem CID: 688303 IUPAC Name: [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C
| PubChem CID | 688303 |
|---|---|
| CAS | 2873-29-2 |
| Molecular Weight (g/mol) | 272.25 |
| MDL Number | MFCD00063253 |
| SMILES | CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C |
| Synonym | tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal |
| IUPAC Name | [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UTUOFQBUSA-N |
| Molecular Formula | C12H16O7 |
1-Hexylboronic acid, 97%
CAS: 16343-08-1 Molecular Formula: C6H15BO2 Molecular Weight (g/mol): 129.994 MDL Number: MFCD01074641 InChI Key: CXSYDLCMCLCOCA-UHFFFAOYSA-N Synonym: n-hexylboronic acid,1-hexaneboronic acid,boronic acid, b-hexyl,1-hexylboronic acid,n-hexaneboronic acid,boronic acid, hexyl,b-hexyl-boronic acid,n-hexylboronicacid,1-hexylboronic acid c6-b oh 2 PubChem CID: 351064 IUPAC Name: hexylboronic acid SMILES: B(CCCCCC)(O)O
| PubChem CID | 351064 |
|---|---|
| CAS | 16343-08-1 |
| Molecular Weight (g/mol) | 129.994 |
| MDL Number | MFCD01074641 |
| SMILES | B(CCCCCC)(O)O |
| Synonym | n-hexylboronic acid,1-hexaneboronic acid,boronic acid, b-hexyl,1-hexylboronic acid,n-hexaneboronic acid,boronic acid, hexyl,b-hexyl-boronic acid,n-hexylboronicacid,1-hexylboronic acid c6-b oh 2 |
| IUPAC Name | hexylboronic acid |
| InChI Key | CXSYDLCMCLCOCA-UHFFFAOYSA-N |
| Molecular Formula | C6H15BO2 |
Cyclopentene-1-boronic acid, 97%
CAS: 850036-28-1 Molecular Formula: C5H9BO2 Molecular Weight (g/mol): 111.935 MDL Number: MFCD02179496 InChI Key: UZBHNSVUMGIKLU-UHFFFAOYSA-N Synonym: cyclopent-1-en-1-ylboronic acid,1-cyclopentenylboronic acid,cyclopentenylboronic acid,cyclopent-1-en-1-yl boronic acid,cyclopentene-1-boronic acid,cyclopenten-1-yl boronic acid,cyclopent-1-ene-1-boronic acid,boronic acid, 1-cyclopenten-1-yl,cyclopenteneboronic acid,acmc-209pzb PubChem CID: 3861343 IUPAC Name: cyclopenten-1-ylboronic acid SMILES: B(C1=CCCC1)(O)O
| PubChem CID | 3861343 |
|---|---|
| CAS | 850036-28-1 |
| Molecular Weight (g/mol) | 111.935 |
| MDL Number | MFCD02179496 |
| SMILES | B(C1=CCCC1)(O)O |
| Synonym | cyclopent-1-en-1-ylboronic acid,1-cyclopentenylboronic acid,cyclopentenylboronic acid,cyclopent-1-en-1-yl boronic acid,cyclopentene-1-boronic acid,cyclopenten-1-yl boronic acid,cyclopent-1-ene-1-boronic acid,boronic acid, 1-cyclopenten-1-yl,cyclopenteneboronic acid,acmc-209pzb |
| IUPAC Name | cyclopenten-1-ylboronic acid |
| InChI Key | UZBHNSVUMGIKLU-UHFFFAOYSA-N |
| Molecular Formula | C5H9BO2 |
2,2-Di-n-propylacetic acid, 98+%
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
2,2,3,3,3-Pentafluoropropyl acrylate, 97%
CAS: 356-86-5 Molecular Formula: C6H5F5O2 Molecular Weight (g/mol): 204.10 MDL Number: MFCD00039257 InChI Key: JDVGNKIUXZQTFD-UHFFFAOYSA-N Synonym: 2,2,3,3,3-pentafluoropropyl acrylate,1h,1h-pentafluoropropyl acrylate,2-propenoic acid, 2,2,3,3,3-pentafluoropropyl ester,acmc-20aokp,acrylic acid=2,2,3,3,3-pentafluoropropyl ester,acrylic acid 2,2,3,3,3-pentafluoropropyl ester,2-propenoic acid,2,2,3,3,3-pentafluoropropyl ester,2,2,3,3,3-pentafluoropropyl acrylate stabilized with tbc,2,2,3,3,3-pentafluoropropyl acrylate, contains 100 ppm 4-tert-butylcatechol as inhibitor PubChem CID: 67744 IUPAC Name: 2,2,3,3,3-pentafluoropropyl prop-2-enoate SMILES: FC(F)(F)C(F)(F)COC(=O)C=C
| PubChem CID | 67744 |
|---|---|
| CAS | 356-86-5 |
| Molecular Weight (g/mol) | 204.10 |
| MDL Number | MFCD00039257 |
| SMILES | FC(F)(F)C(F)(F)COC(=O)C=C |
| Synonym | 2,2,3,3,3-pentafluoropropyl acrylate,1h,1h-pentafluoropropyl acrylate,2-propenoic acid, 2,2,3,3,3-pentafluoropropyl ester,acmc-20aokp,acrylic acid=2,2,3,3,3-pentafluoropropyl ester,acrylic acid 2,2,3,3,3-pentafluoropropyl ester,2-propenoic acid,2,2,3,3,3-pentafluoropropyl ester,2,2,3,3,3-pentafluoropropyl acrylate stabilized with tbc,2,2,3,3,3-pentafluoropropyl acrylate, contains 100 ppm 4-tert-butylcatechol as inhibitor |
| IUPAC Name | 2,2,3,3,3-pentafluoropropyl prop-2-enoate |
| InChI Key | JDVGNKIUXZQTFD-UHFFFAOYSA-N |
| Molecular Formula | C6H5F5O2 |
1-Methylcyclohexanecarboxylic acid, 99%
CAS: 1123-25-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00001463 InChI Key: REHQLKUNRPCYEW-UHFFFAOYSA-N Synonym: 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference PubChem CID: 70744 IUPAC Name: 1-methylcyclohexane-1-carboxylic acid SMILES: CC1(CCCCC1)C(=O)O
| PubChem CID | 70744 |
|---|---|
| CAS | 1123-25-7 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00001463 |
| SMILES | CC1(CCCCC1)C(=O)O |
| Synonym | 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference |
| IUPAC Name | 1-methylcyclohexane-1-carboxylic acid |
| InChI Key | REHQLKUNRPCYEW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |