Organic acids and derivatives
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Tripotassium citrate monohydrate, 97%
CAS: 6100-05-6 Molecular Formula: C6H7K3O8 Molecular Weight (g/mol): 324.41 MDL Number: MFCD00150442 InChI Key: PJAHUDTUZRZBKM-UHFFFAOYSA-K Synonym: potassium citrate monohydrate,tripotassium citrate monohydrate,unii-ee90oni6ff,ee90oni6ff,citric acid tripotassium salt,urocit-k,ccris 6543,tri-potassium citrate monohydrate,potassium citrate tribasic monohydrate,citric acid, tripotassium salt, monohydrate PubChem CID: 2735208 ChEBI: CHEBI:64746 IUPAC Name: tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+]
| PubChem CID | 2735208 |
|---|---|
| CAS | 6100-05-6 |
| Molecular Weight (g/mol) | 324.41 |
| ChEBI | CHEBI:64746 |
| MDL Number | MFCD00150442 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+] |
| Synonym | potassium citrate monohydrate,tripotassium citrate monohydrate,unii-ee90oni6ff,ee90oni6ff,citric acid tripotassium salt,urocit-k,ccris 6543,tri-potassium citrate monohydrate,potassium citrate tribasic monohydrate,citric acid, tripotassium salt, monohydrate |
| IUPAC Name | tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate |
| InChI Key | PJAHUDTUZRZBKM-UHFFFAOYSA-K |
| Molecular Formula | C6H7K3O8 |
N-Methylisatoic anhydride, tech. 90%
CAS: 10328-92-4 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00006815 InChI Key: KJMRWDHBVCNLTQ-UHFFFAOYSA-N Synonym: n-methylisatoic anhydride,1-methyl-1h-benzo d 1,3 oxazine-2,4-dione,n-methyl ia,1-methyl-2h-3,1-benzoxazine-2,4 1h-dione,2h-3,1-benzoxazine-2,4 1h-dione, 1-methyl,n-methyl-n-carboxyanthranilic anhydride,methyl-n-carboxyanthranilic anhydride,1-methylbenzo d 1,3-oxazine-2,4-dione,n-methyl isotoic anhydride,1-methyl-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione PubChem CID: 25160 ChEBI: CHEBI:59054 IUPAC Name: 1-methyl-3,1-benzoxazine-2,4-dione SMILES: CN1C2=CC=CC=C2C(=O)OC1=O
| PubChem CID | 25160 |
|---|---|
| CAS | 10328-92-4 |
| Molecular Weight (g/mol) | 177.159 |
| ChEBI | CHEBI:59054 |
| MDL Number | MFCD00006815 |
| SMILES | CN1C2=CC=CC=C2C(=O)OC1=O |
| Synonym | n-methylisatoic anhydride,1-methyl-1h-benzo d 1,3 oxazine-2,4-dione,n-methyl ia,1-methyl-2h-3,1-benzoxazine-2,4 1h-dione,2h-3,1-benzoxazine-2,4 1h-dione, 1-methyl,n-methyl-n-carboxyanthranilic anhydride,methyl-n-carboxyanthranilic anhydride,1-methylbenzo d 1,3-oxazine-2,4-dione,n-methyl isotoic anhydride,1-methyl-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione |
| IUPAC Name | 1-methyl-3,1-benzoxazine-2,4-dione |
| InChI Key | KJMRWDHBVCNLTQ-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3 |
Benzyl Formate 95.0+%, TCI America™
CAS: 104-57-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00014128 InChI Key: UYWQUFXKFGHYNT-UHFFFAOYSA-N Synonym: formic acid, phenylmethyl ester,benzyl methanoate,phenylmethyl formate,benzyl alcohol, formate,formic acid benzyl ester,benzyl formiat,formic acid, benzyl ester,benzylester kyseliny mravenci,ameisensaeurebenzylester,carbobenzoxy group PubChem CID: 7708 ChEBI: CHEBI:3057 IUPAC Name: benzyl formate SMILES: C1=CC=C(C=C1)COC=O
| PubChem CID | 7708 |
|---|---|
| CAS | 104-57-4 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:3057 |
| MDL Number | MFCD00014128 |
| SMILES | C1=CC=C(C=C1)COC=O |
| Synonym | formic acid, phenylmethyl ester,benzyl methanoate,phenylmethyl formate,benzyl alcohol, formate,formic acid benzyl ester,benzyl formiat,formic acid, benzyl ester,benzylester kyseliny mravenci,ameisensaeurebenzylester,carbobenzoxy group |
| IUPAC Name | benzyl formate |
| InChI Key | UYWQUFXKFGHYNT-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, Electrophoresis Grade, 99.4+%
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 6049 |
|---|---|
| CAS | 60-00-4 |
| Molecular Weight (g/mol) | 292.24 |
| ChEBI | CHEBI:42191 |
| MDL Number | MFCD00003541 |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
| Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
Ethyl cinnamate, 98+%
CAS: 103-36-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00009189 InChI Key: KBEBGUQPQBELIU-CMDGGOBGSA-N Synonym: ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate PubChem CID: 637758 ChEBI: CHEBI:4895 IUPAC Name: ethyl (E)-3-phenylprop-2-enoate SMILES: CCOC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637758 |
|---|---|
| CAS | 103-36-6 |
| Molecular Weight (g/mol) | 176.215 |
| ChEBI | CHEBI:4895 |
| MDL Number | MFCD00009189 |
| SMILES | CCOC(=O)C=CC1=CC=CC=C1 |
| Synonym | ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate |
| IUPAC Name | ethyl (E)-3-phenylprop-2-enoate |
| InChI Key | KBEBGUQPQBELIU-CMDGGOBGSA-N |
| Molecular Formula | C11H12O2 |
2-Ethylhexyl acetate, 99%
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 |
Methyl 2-(Bromomethyl)acrylate 97.0+%, TCI America™
CAS: 4224-69-5 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00011697 InChI Key: CFTUQSLVERGMHL-UHFFFAOYSA-N Synonym: methyl 2-bromomethyl acrylate,methyl 2-bromomethyl prop-2-enoate,methyl 2-bromomethyl-2-propenoate,methyl alpha-bromomethyl acrylate,2-bromomethyl methyl acrylate,2-propenoic acid, 2-bromomethyl-, methyl ester,2-bromomethyl acrylic acid methyl ester,acrylic acid, 2-bromomethyl-, methyl ester,zlchem 195,pubchem17371 PubChem CID: 521093 IUPAC Name: methyl 2-(bromomethyl)prop-2-enoate SMILES: COC(=O)C(=C)CBr
| PubChem CID | 521093 |
|---|---|
| CAS | 4224-69-5 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00011697 |
| SMILES | COC(=O)C(=C)CBr |
| Synonym | methyl 2-bromomethyl acrylate,methyl 2-bromomethyl prop-2-enoate,methyl 2-bromomethyl-2-propenoate,methyl alpha-bromomethyl acrylate,2-bromomethyl methyl acrylate,2-propenoic acid, 2-bromomethyl-, methyl ester,2-bromomethyl acrylic acid methyl ester,acrylic acid, 2-bromomethyl-, methyl ester,zlchem 195,pubchem17371 |
| IUPAC Name | methyl 2-(bromomethyl)prop-2-enoate |
| InChI Key | CFTUQSLVERGMHL-UHFFFAOYSA-N |
| Molecular Formula | C5H7BrO2 |
1-Hexanesulfonic Acid, Sodium Salt, Monohydrate, HPLC Grade, 99% min., MilliporeSigma™
CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O
| PubChem CID | 23677630 |
|---|---|
| CAS | 2832-45-3 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00007542 |
| SMILES | [Na+].CCCCCCS([O-])(=O)=O |
| Synonym | sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt |
| IUPAC Name | sodium hexane-1-sulfonate |
| InChI Key | QWSZRRAAFHGKCH-UHFFFAOYSA-M |
| Molecular Formula | C6H13NaO3S |
2-Ketoglutaric acid, disodium salt, dihydrate, 99%
CAS: 305-72-6 Molecular Formula: C5H4Na2O5·2H2O Molecular Weight (g/mol): 226.1 MDL Number: MFCD00150702 InChI Key: YBGBJYVHJTVUSL-UHFFFAOYSA-L Synonym: disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate PubChem CID: 31040 IUPAC Name: disodium;2-oxopentanedioate SMILES: C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
| PubChem CID | 31040 |
|---|---|
| CAS | 305-72-6 |
| Molecular Weight (g/mol) | 226.1 |
| MDL Number | MFCD00150702 |
| SMILES | C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate |
| IUPAC Name | disodium;2-oxopentanedioate |
| InChI Key | YBGBJYVHJTVUSL-UHFFFAOYSA-L |
| Molecular Formula | C5H4Na2O5·2H2O |
2,2-Bis(hydroxymethyl)propionic acid, 98%
CAS: 4767-03-7 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 InChI Key: PTBDIHRZYDMNKB-UHFFFAOYSA-N
| CAS | 4767-03-7 |
|---|---|
| Molecular Weight (g/mol) | 134.13 |
| InChI Key | PTBDIHRZYDMNKB-UHFFFAOYSA-N |
| Molecular Formula | C5H10O4 |
Hydroxylamine-O-sulfonic acid, 97%
CAS: 2950-43-8 Molecular Formula: H3NO4S Molecular Weight (g/mol): 113.09 MDL Number: MFCD00011604 InChI Key: DQPBABKTKYNPMH-UHFFFAOYSA-N Synonym: hydroxylamine-o-sulfonic acid,aminooxy sulfonic acid,sulfoperamidic acid,hydroxylamine-o-sulphonic acid,permonosulfamic acid,amidoperoxymonosulfuric acid,aminooxysulfonic acid,amidosulfonic peracid,haos,sulfamic acid n-oxide PubChem CID: 76284 IUPAC Name: amino hydrogen sulfate SMILES: NOS(O)(=O)=O
| PubChem CID | 76284 |
|---|---|
| CAS | 2950-43-8 |
| Molecular Weight (g/mol) | 113.09 |
| MDL Number | MFCD00011604 |
| SMILES | NOS(O)(=O)=O |
| Synonym | hydroxylamine-o-sulfonic acid,aminooxy sulfonic acid,sulfoperamidic acid,hydroxylamine-o-sulphonic acid,permonosulfamic acid,amidoperoxymonosulfuric acid,aminooxysulfonic acid,amidosulfonic peracid,haos,sulfamic acid n-oxide |
| IUPAC Name | amino hydrogen sulfate |
| InChI Key | DQPBABKTKYNPMH-UHFFFAOYSA-N |
| Molecular Formula | H3NO4S |
n-Propyl propionate, 99%
CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC
| PubChem CID | 7803 |
|---|---|
| CAS | 106-36-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009373 |
| SMILES | CCCOC(=O)CC |
| Synonym | propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester |
| IUPAC Name | propyl propanoate |
| InChI Key | MCSINKKTEDDPNK-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1,4-Benzenediboronic acid, 96%
CAS: 4612-26-4 Molecular Formula: C6H8B2O4 Molecular Weight (g/mol): 165.746 MDL Number: MFCD00236018 InChI Key: BODYVHJTUHHINQ-UHFFFAOYSA-N Synonym: 1,4-benzenediboronic acid,1,4-phenylenediboronic acid,1,4-phenylenebisboronic acid,benzene-1,4-diboronic acid,4-boronophenyl boronic acid,p-benzenediboronic acid,p-phenylenediboronic acid,1,4-phenylenebis boronic acid,1,4 phenyl diboronic acid,boronic acid, 1,4-phenylenebis PubChem CID: 230478 IUPAC Name: (4-boronophenyl)boronic acid SMILES: B(C1=CC=C(C=C1)B(O)O)(O)O
| PubChem CID | 230478 |
|---|---|
| CAS | 4612-26-4 |
| Molecular Weight (g/mol) | 165.746 |
| MDL Number | MFCD00236018 |
| SMILES | B(C1=CC=C(C=C1)B(O)O)(O)O |
| Synonym | 1,4-benzenediboronic acid,1,4-phenylenediboronic acid,1,4-phenylenebisboronic acid,benzene-1,4-diboronic acid,4-boronophenyl boronic acid,p-benzenediboronic acid,p-phenylenediboronic acid,1,4-phenylenebis boronic acid,1,4 phenyl diboronic acid,boronic acid, 1,4-phenylenebis |
| IUPAC Name | (4-boronophenyl)boronic acid |
| InChI Key | BODYVHJTUHHINQ-UHFFFAOYSA-N |
| Molecular Formula | C6H8B2O4 |
Methylenediphosphonic acid, 98%, Thermo Scientific Chemicals
CAS: 1984-15-2 Molecular Formula: CH6O6P2 Molecular Weight (g/mol): 176.00 MDL Number: MFCD00002139 InChI Key: MBKDYNNUVRNNRF-UHFFFAOYSA-N Synonym: methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid PubChem CID: 16124 ChEBI: CHEBI:43945 SMILES: OP(O)(=O)CP(O)(O)=O
| PubChem CID | 16124 |
|---|---|
| CAS | 1984-15-2 |
| Molecular Weight (g/mol) | 176.00 |
| ChEBI | CHEBI:43945 |
| MDL Number | MFCD00002139 |
| SMILES | OP(O)(=O)CP(O)(O)=O |
| Synonym | methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid |
| InChI Key | MBKDYNNUVRNNRF-UHFFFAOYSA-N |
| Molecular Formula | CH6O6P2 |
Dess-Martin periodinane
CAS: 87413-09-0 Molecular Formula: C13H13IO8 Molecular Weight (g/mol): 424.14 MDL Number: MFCD00130127 InChI Key: NKLCNNUWBJBICK-UHFFFAOYSA-N PubChem CID: 159087 SMILES: CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12
| PubChem CID | 159087 |
|---|---|
| CAS | 87413-09-0 |
| Molecular Weight (g/mol) | 424.14 |
| MDL Number | MFCD00130127 |
| SMILES | CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12 |
| InChI Key | NKLCNNUWBJBICK-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO8 |