Organic acids and derivatives
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tert-Butyl bromoacetate, 99%
CAS: 5292-43-3 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000188 InChI Key: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC Name: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr
| PubChem CID | 79177 |
|---|---|
| CAS | 5292-43-3 |
| Molecular Weight (g/mol) | 195.06 |
| MDL Number | MFCD00000188 |
| SMILES | CC(C)(C)OC(=O)CBr |
| Synonym | tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat |
| IUPAC Name | tert-butyl 2-bromoacetate |
| InChI Key | BNWCETAHAJSBFG-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO2 |
Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate, 97%
CAS: 1632-19-5 Molecular Formula: C8H9NO6 Molecular Weight (g/mol): 215.161 MDL Number: MFCD00276587 InChI Key: QCPBGHYMHYWRHG-UHFFFAOYSA-N Synonym: dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate,maybridge4_003392,acmc-20al76,2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,2,5-dimethyl 3,4-dihydroxy-1h-pyrrole-2,5-dicarboxylate,methyl 3,4-dihydroxy-5-methoxycarbonyl pyrrole-2-carboxylate,2z,5z-2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,1h-pyrrole-2,5-dicarboxylicacid, 3,4-dihydroxy-, 2,5-dimethyl ester PubChem CID: 2727733 IUPAC Name: dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate SMILES: COC(=O)C1=C(C(=C(N1)C(=O)OC)O)O
| PubChem CID | 2727733 |
|---|---|
| CAS | 1632-19-5 |
| Molecular Weight (g/mol) | 215.161 |
| MDL Number | MFCD00276587 |
| SMILES | COC(=O)C1=C(C(=C(N1)C(=O)OC)O)O |
| Synonym | dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate,maybridge4_003392,acmc-20al76,2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,2,5-dimethyl 3,4-dihydroxy-1h-pyrrole-2,5-dicarboxylate,methyl 3,4-dihydroxy-5-methoxycarbonyl pyrrole-2-carboxylate,2z,5z-2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,1h-pyrrole-2,5-dicarboxylicacid, 3,4-dihydroxy-, 2,5-dimethyl ester |
| IUPAC Name | dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate |
| InChI Key | QCPBGHYMHYWRHG-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO6 |
Iodoacetic acid, 97%
CAS: 64-69-7 Molecular Formula: C2H3IO2 Molecular Weight (g/mol): 185.95 MDL Number: MFCD00002685 InChI Key: JDNTWHVOXJZDSN-UHFFFAOYSA-N Synonym: iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova PubChem CID: 5240 ChEBI: CHEBI:74571 IUPAC Name: 2-iodoacetic acid SMILES: C(C(=O)O)I
| PubChem CID | 5240 |
|---|---|
| CAS | 64-69-7 |
| Molecular Weight (g/mol) | 185.95 |
| ChEBI | CHEBI:74571 |
| MDL Number | MFCD00002685 |
| SMILES | C(C(=O)O)I |
| Synonym | iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova |
| IUPAC Name | 2-iodoacetic acid |
| InChI Key | JDNTWHVOXJZDSN-UHFFFAOYSA-N |
| Molecular Formula | C2H3IO2 |
Thermo Scientific Chemicals Cytidine 5'-monophosphate hydrate, 99%
CAS: 63-37-6 Molecular Formula: C9H14N3O8P Molecular Weight (g/mol): 323.20 MDL Number: MFCD00006544 InChI Key: IERHLVCPSMICTF-NHBCCFCANA-N Synonym: 5'-cytidylic acid,cytidylic acid,cytidine 5'-monophosphate,cytidine monophosphate,cytidine-5'-monophosphate,5'-cmp,cytidylate,cytidine 5'-phosphate,cmp nucleotide,cytidine 5'-phosphoric acid PubChem CID: 6131 ChEBI: CHEBI:17361 IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
| PubChem CID | 6131 |
|---|---|
| CAS | 63-37-6 |
| Molecular Weight (g/mol) | 323.20 |
| ChEBI | CHEBI:17361 |
| MDL Number | MFCD00006544 |
| SMILES | NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |
| Synonym | 5'-cytidylic acid,cytidylic acid,cytidine 5'-monophosphate,cytidine monophosphate,cytidine-5'-monophosphate,5'-cmp,cytidylate,cytidine 5'-phosphate,cmp nucleotide,cytidine 5'-phosphoric acid |
| IUPAC Name | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| InChI Key | IERHLVCPSMICTF-NHBCCFCANA-N |
| Molecular Formula | C9H14N3O8P |
Dimethyl allylphosphonate, tech. 85%, Thermo Scientific Chemicals
CAS: 757-54-0 Molecular Formula: C5H11O3P Molecular Weight (g/mol): 150.114 MDL Number: MFCD00014951 InChI Key: ZOSQAGGCVFVCNO-UHFFFAOYSA-N Synonym: dimethyl allylphosphonate,allyl phosphonic acid dimethyl ester,dimethyl prop-2-en-1-ylphosphonate,acmc-20al6z,dimethyl allyl phosphonate,allylphosphonic acid dimethyl,allylphosphonic acid dimethyl ester PubChem CID: 136570 IUPAC Name: 3-dimethoxyphosphorylprop-1-ene SMILES: COP(=O)(CC=C)OC
| PubChem CID | 136570 |
|---|---|
| CAS | 757-54-0 |
| Molecular Weight (g/mol) | 150.114 |
| MDL Number | MFCD00014951 |
| SMILES | COP(=O)(CC=C)OC |
| Synonym | dimethyl allylphosphonate,allyl phosphonic acid dimethyl ester,dimethyl prop-2-en-1-ylphosphonate,acmc-20al6z,dimethyl allyl phosphonate,allylphosphonic acid dimethyl,allylphosphonic acid dimethyl ester |
| IUPAC Name | 3-dimethoxyphosphorylprop-1-ene |
| InChI Key | ZOSQAGGCVFVCNO-UHFFFAOYSA-N |
| Molecular Formula | C5H11O3P |
Methyl alpha-chloroacrylate, 98+%, stabilized with hydroquinone
CAS: 80-63-7 Molecular Formula: C4H5ClO2 Molecular Weight (g/mol): 120.54 MDL Number: MFCD00051368 InChI Key: AWJZTPWDQYFQPQ-UHFFFAOYSA-N Synonym: methyl 2-chloroacrylate,methyl alpha-chloroacrylate,methyl-2-chloroacrylate,2-propenoic acid, 2-chloro-, methyl ester,methyl-alpha-chloroacrylate,2-chloroacrylic acid, methyl ester,methyl 2-chloro-2-propenoate,acrylic acid, 2-chloro-, methyl ester,methyl 2-chloro-2-propenate,unii-47pg4l077j PubChem CID: 6659 IUPAC Name: methyl 2-chloroprop-2-enoate SMILES: COC(=O)C(=C)Cl
| PubChem CID | 6659 |
|---|---|
| CAS | 80-63-7 |
| Molecular Weight (g/mol) | 120.54 |
| MDL Number | MFCD00051368 |
| SMILES | COC(=O)C(=C)Cl |
| Synonym | methyl 2-chloroacrylate,methyl alpha-chloroacrylate,methyl-2-chloroacrylate,2-propenoic acid, 2-chloro-, methyl ester,methyl-alpha-chloroacrylate,2-chloroacrylic acid, methyl ester,methyl 2-chloro-2-propenoate,acrylic acid, 2-chloro-, methyl ester,methyl 2-chloro-2-propenate,unii-47pg4l077j |
| IUPAC Name | methyl 2-chloroprop-2-enoate |
| InChI Key | AWJZTPWDQYFQPQ-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO2 |
Sodium vinylsulfonate, tech. ca 25% aq. soln.
CAS: 3039-83-6 Molecular Formula: C2H3NaO3S Molecular Weight (g/mol): 130.09 MDL Number: MFCD00007520 InChI Key: BWYYYTVSBPRQCN-UHFFFAOYSA-M Synonym: sodium ethenesulfonate,sodium vinylsulfonate,ethenesulfonic acid, sodium salt,sodium ethylenesulfonate,sodium vinyl sulfonate,sodium ethylenesulphonate,sodium apolate,unii-f7k3l38z7b,sodium ethenesulfonate in h2o,lyapolate sodium usan PubChem CID: 3270262 IUPAC Name: sodium;ethenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C=C
| PubChem CID | 3270262 |
|---|---|
| CAS | 3039-83-6 |
| Molecular Weight (g/mol) | 130.09 |
| MDL Number | MFCD00007520 |
| SMILES | [Na+].[O-]S(=O)(=O)C=C |
| Synonym | sodium ethenesulfonate,sodium vinylsulfonate,ethenesulfonic acid, sodium salt,sodium ethylenesulfonate,sodium vinyl sulfonate,sodium ethylenesulphonate,sodium apolate,unii-f7k3l38z7b,sodium ethenesulfonate in h2o,lyapolate sodium usan |
| IUPAC Name | sodium;ethenesulfonate |
| InChI Key | BWYYYTVSBPRQCN-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO3S |
3-Pyrazolidinone hydrochloride, 98%
CAS: 1752-88-1 Molecular Formula: C3H7ClN2O Molecular Weight (g/mol): 122.55 MDL Number: MFCD00043787 InChI Key: HAYWTXQRYXYRAF-UHFFFAOYSA-N Synonym: 3-pyrazolidinone hydrochloride,pyrazolidin-3-one hydrochloride,4,5-dihydro-1h-pyrazol-3-ol hydrochloride,3-pyrazolidinone, monohydrochloride,tetrahydro-3h-pyrazol-3-one hydrochloride,3-pyrazolidinone hcl,3-pyrazolidone hydrochloride,ksc493k0l,pyrazolidin-3-on-hydrochloride,pyrazolidin-3-one hydrogen chloride PubChem CID: 2733712 SMILES: [H+].[Cl-].O=C1CCNN1
| PubChem CID | 2733712 |
|---|---|
| CAS | 1752-88-1 |
| Molecular Weight (g/mol) | 122.55 |
| MDL Number | MFCD00043787 |
| SMILES | [H+].[Cl-].O=C1CCNN1 |
| Synonym | 3-pyrazolidinone hydrochloride,pyrazolidin-3-one hydrochloride,4,5-dihydro-1h-pyrazol-3-ol hydrochloride,3-pyrazolidinone, monohydrochloride,tetrahydro-3h-pyrazol-3-one hydrochloride,3-pyrazolidinone hcl,3-pyrazolidone hydrochloride,ksc493k0l,pyrazolidin-3-on-hydrochloride,pyrazolidin-3-one hydrogen chloride |
| InChI Key | HAYWTXQRYXYRAF-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClN2O |
Ethyl tridecanoate, 97%
CAS: 28267-29-0 Molecular Formula: C15H30O2 Molecular Weight (g/mol): 242.403 MDL Number: MFCD00008978 InChI Key: QJYYMNOTJXIOBP-UHFFFAOYSA-N Synonym: tridecanoic acid ethyl ester,tridecanoic acid, ethyl ester,ethyltridecanoate,ethyl=tridecanoate,tridecanoic acid, ethylester,acmc-1cr51,ethyl tridecanoate,n-tridecanoic acid ethyl ester PubChem CID: 119908 IUPAC Name: ethyl tridecanoate SMILES: CCCCCCCCCCCCC(=O)OCC
| PubChem CID | 119908 |
|---|---|
| CAS | 28267-29-0 |
| Molecular Weight (g/mol) | 242.403 |
| MDL Number | MFCD00008978 |
| SMILES | CCCCCCCCCCCCC(=O)OCC |
| Synonym | tridecanoic acid ethyl ester,tridecanoic acid, ethyl ester,ethyltridecanoate,ethyl=tridecanoate,tridecanoic acid, ethylester,acmc-1cr51,ethyl tridecanoate,n-tridecanoic acid ethyl ester |
| IUPAC Name | ethyl tridecanoate |
| InChI Key | QJYYMNOTJXIOBP-UHFFFAOYSA-N |
| Molecular Formula | C15H30O2 |
Dipotassium Dihydrogen Ethylenediaminetetraacetic Acid, 99%, Spectrum™ Chemical
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CAS: 25102-12-9
| CAS | 25102-12-9 |
|---|
Sodium 1-hexadecanesulfonate, 97%
CAS: 15015-81-3 Molecular Formula: C16H33NaO3S Molecular Weight (g/mol): 328.487 MDL Number: MFCD00007528 InChI Key: PNGBYKXZVCIZRN-UHFFFAOYSA-M Synonym: sodium cetylsulfonate,sodium 1-hexadecanesulfonate,1-hexadecanesulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt,sodium hexadecane-1-sulfonate,unii-sk4e885p15,sodium hexadecane-1-sulphonate,cetylsulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt 1:1,hexadecylsulfonic acid sodium salt PubChem CID: 23665769 IUPAC Name: sodium;hexadecane-1-sulfonate SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23665769 |
|---|---|
| CAS | 15015-81-3 |
| Molecular Weight (g/mol) | 328.487 |
| MDL Number | MFCD00007528 |
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium cetylsulfonate,sodium 1-hexadecanesulfonate,1-hexadecanesulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt,sodium hexadecane-1-sulfonate,unii-sk4e885p15,sodium hexadecane-1-sulphonate,cetylsulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt 1:1,hexadecylsulfonic acid sodium salt |
| IUPAC Name | sodium;hexadecane-1-sulfonate |
| InChI Key | PNGBYKXZVCIZRN-UHFFFAOYSA-M |
| Molecular Formula | C16H33NaO3S |
4-(Hydroxymethyl)-1,3-dioxolan-2-one, 90%
CAS: 931-40-8 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00085561 InChI Key: JFMGYULNQJPJCY-UHFFFAOYNA-N Synonym: 4-hydroxymethyl-1,3-dioxolan-2-one,glycerol carbonate,hydroxymethyl dioxolanone,glycerol 1,2-carbonate,1,3-dioxolan-2-one, 4-hydroxymethyl,1,3-dioxolan-2-one,4-hydroxymethyl,glycerin carbonate,glycerol1,2-carbonate,4-hydroxymethyl-1,3-dioxolan-2-on PubChem CID: 97944 IUPAC Name: 4-(hydroxymethyl)-1,3-dioxolan-2-one SMILES: OCC1COC(=O)O1
| PubChem CID | 97944 |
|---|---|
| CAS | 931-40-8 |
| Molecular Weight (g/mol) | 118.09 |
| MDL Number | MFCD00085561 |
| SMILES | OCC1COC(=O)O1 |
| Synonym | 4-hydroxymethyl-1,3-dioxolan-2-one,glycerol carbonate,hydroxymethyl dioxolanone,glycerol 1,2-carbonate,1,3-dioxolan-2-one, 4-hydroxymethyl,1,3-dioxolan-2-one,4-hydroxymethyl,glycerin carbonate,glycerol1,2-carbonate,4-hydroxymethyl-1,3-dioxolan-2-on |
| IUPAC Name | 4-(hydroxymethyl)-1,3-dioxolan-2-one |
| InChI Key | JFMGYULNQJPJCY-UHFFFAOYNA-N |
| Molecular Formula | C4H6O4 |
2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate), 98+%
CAS: 25265-77-4 Molecular Formula: C12H24O3 Molecular Weight (g/mol): 216.32 MDL Number: MFCD00148967 InChI Key: DAFHKNAQFPVRKR-UHFFFAOYSA-N Synonym: texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate PubChem CID: 6490 IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)O
| PubChem CID | 6490 |
|---|---|
| CAS | 25265-77-4 |
| Molecular Weight (g/mol) | 216.32 |
| MDL Number | MFCD00148967 |
| SMILES | CC(C)C(C(C)(C)COC(=O)C(C)C)O |
| Synonym | texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate |
| IUPAC Name | (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate |
| InChI Key | DAFHKNAQFPVRKR-UHFFFAOYSA-N |
| Molecular Formula | C12H24O3 |
4-Cyano-2-fluorophenylboronic acid, 97%
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 |
Pyridazine-3-carboxylic acid, 97%
CAS: 2164-61-6 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.099 MDL Number: MFCD01646333 InChI Key: RUUOPSRRIKJHNH-UHFFFAOYSA-N Synonym: 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; PubChem CID: 269369 IUPAC Name: pyridazine-3-carboxylic acid SMILES: C1=CC(=NN=C1)C(=O)O
| PubChem CID | 269369 |
|---|---|
| CAS | 2164-61-6 |
| Molecular Weight (g/mol) | 124.099 |
| MDL Number | MFCD01646333 |
| SMILES | C1=CC(=NN=C1)C(=O)O |
| Synonym | 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; |
| IUPAC Name | pyridazine-3-carboxylic acid |
| InChI Key | RUUOPSRRIKJHNH-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |