Organic acids and derivatives
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4-(Benzyloxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 184000-11-1 Molecular Formula: C14H13BO4 Molecular Weight (g/mol): 256.06 MDL Number: MFCD02179442 InChI Key: UXSDJFGNRVVDFM-UHFFFAOYSA-N PubChem CID: 2773251 IUPAC Name: {4-[(benzyloxy)carbonyl]phenyl}boronic acid SMILES: OB(O)C1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1
| PubChem CID | 2773251 |
|---|---|
| CAS | 184000-11-1 |
| Molecular Weight (g/mol) | 256.06 |
| MDL Number | MFCD02179442 |
| SMILES | OB(O)C1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 |
| IUPAC Name | {4-[(benzyloxy)carbonyl]phenyl}boronic acid |
| InChI Key | UXSDJFGNRVVDFM-UHFFFAOYSA-N |
| Molecular Formula | C14H13BO4 |
4-Benzyloxy-3-fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 133057-83-7 Molecular Formula: C13H12BFO3 MDL Number: MFCD00994627 InChI Key: DQPDLDQJMUGVGI-UHFFFAOYSA-N PubChem CID: 2737788
| PubChem CID | 2737788 |
|---|---|
| CAS | 133057-83-7 |
| MDL Number | MFCD00994627 |
| InChI Key | DQPDLDQJMUGVGI-UHFFFAOYSA-N |
| Molecular Formula | C13H12BFO3 |
2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 565-42-4 Molecular Formula: C10H9F5O3S Molecular Weight (g/mol): 304.23 MDL Number: MFCD02093346 InChI Key: JBHQQXONFHOEQU-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid 2,2,3,3,3-Pentafluoropropyl Ester, 2,2,3,3,3-Pentafluoropropyl Tosylate PubChem CID: 2776017 IUPAC Name: 2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)F
| PubChem CID | 2776017 |
|---|---|
| CAS | 565-42-4 |
| Molecular Weight (g/mol) | 304.23 |
| MDL Number | MFCD02093346 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)F |
| Synonym | p-Toluenesulfonic Acid 2,2,3,3,3-Pentafluoropropyl Ester, 2,2,3,3,3-Pentafluoropropyl Tosylate |
| IUPAC Name | 2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate |
| InChI Key | JBHQQXONFHOEQU-UHFFFAOYSA-N |
| Molecular Formula | C10H9F5O3S |
3-(tert-Butoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 220210-56-0 Molecular Formula: C11H15BO4 Molecular Weight (g/mol): 222.05 MDL Number: MFCD01630855 InChI Key: HVJDVHCPCSZDSR-UHFFFAOYSA-N PubChem CID: 2773299 IUPAC Name: {3-[(tert-butoxy)carbonyl]phenyl}boronic acid SMILES: CC(C)(C)OC(=O)C1=CC=CC(=C1)B(O)O
| PubChem CID | 2773299 |
|---|---|
| CAS | 220210-56-0 |
| Molecular Weight (g/mol) | 222.05 |
| MDL Number | MFCD01630855 |
| SMILES | CC(C)(C)OC(=O)C1=CC=CC(=C1)B(O)O |
| IUPAC Name | {3-[(tert-butoxy)carbonyl]phenyl}boronic acid |
| InChI Key | HVJDVHCPCSZDSR-UHFFFAOYSA-N |
| Molecular Formula | C11H15BO4 |
Vinyl 4-tert-Butylbenzoate 98.0+%, TCI America™
CAS: 15484-80-7 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00080692 InChI Key: ZLHVSEPPILCZHH-UHFFFAOYSA-N Synonym: 4-tert-Butylbenzoic Acid Vinyl Ester PubChem CID: 84940 IUPAC Name: ethenyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C
| PubChem CID | 84940 |
|---|---|
| CAS | 15484-80-7 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00080692 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C |
| Synonym | 4-tert-Butylbenzoic Acid Vinyl Ester |
| IUPAC Name | ethenyl 4-tert-butylbenzoate |
| InChI Key | ZLHVSEPPILCZHH-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
Doripenem Monohydrate 98.0+%, TCI America™
CAS: 364622-82-2 Molecular Formula: C15H26N4O7S2 Molecular Weight (g/mol): 438.514 MDL Number: MFCD09749887 InChI Key: NTUBEBXBDGKBTJ-WGLOMNHJSA-N PubChem CID: 636377 IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O.O
| PubChem CID | 636377 |
|---|---|
| CAS | 364622-82-2 |
| Molecular Weight (g/mol) | 438.514 |
| MDL Number | MFCD09749887 |
| SMILES | CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O.O |
| IUPAC Name | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate |
| InChI Key | NTUBEBXBDGKBTJ-WGLOMNHJSA-N |
| Molecular Formula | C15H26N4O7S2 |
2-Hydrogen 1-Methyl (1S,2R)-1,2,3,6-Tetrahydrophthalate 98.0+%, TCI America™
CAS: 88335-93-7 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.19 MDL Number: MFCD00757425,MFCD00075490 InChI Key: MYYLMIDEMAPSGH-UHFFFAOYNA-N Synonym: 1s,2r-1-methyl cis-1,2,3,6-tetrahydrophthalate,1r,6s-6-methoxycarbonyl cyclohex-3-enecarboxylic acid,1r,6s-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid,1r,6s-6-methoxycarbonyl cyclohex-3-ene-1-carboxylic acid,1s,2r-1-methyl cis-4-cyclohexene-1,2-dicarboxylate,1r,6s-6-methoxycarbonyl-1-cyclohex-3-enecarboxylic acid,1s,2r-1-methylcis-1,2,3,6-tetrahydrophthalate,2-hydrogen 1-methyl 1s,2r-1,2,3,6-tetrahydrophthalate,1 r,6s-6-methoxycarbonyl-3-cyclohexene-1-carboxylic acid,1r, 2s-2-methoxycarbonylcyclohex-4-ene-1-carboxylic acid PubChem CID: 5325907 IUPAC Name: 6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid SMILES: COC(=O)C1CC=CCC1C(O)=O
| PubChem CID | 5325907 |
|---|---|
| CAS | 88335-93-7 |
| Molecular Weight (g/mol) | 184.19 |
| MDL Number | MFCD00757425,MFCD00075490 |
| SMILES | COC(=O)C1CC=CCC1C(O)=O |
| Synonym | 1s,2r-1-methyl cis-1,2,3,6-tetrahydrophthalate,1r,6s-6-methoxycarbonyl cyclohex-3-enecarboxylic acid,1r,6s-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid,1r,6s-6-methoxycarbonyl cyclohex-3-ene-1-carboxylic acid,1s,2r-1-methyl cis-4-cyclohexene-1,2-dicarboxylate,1r,6s-6-methoxycarbonyl-1-cyclohex-3-enecarboxylic acid,1s,2r-1-methylcis-1,2,3,6-tetrahydrophthalate,2-hydrogen 1-methyl 1s,2r-1,2,3,6-tetrahydrophthalate,1 r,6s-6-methoxycarbonyl-3-cyclohexene-1-carboxylic acid,1r, 2s-2-methoxycarbonylcyclohex-4-ene-1-carboxylic acid |
| IUPAC Name | 6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid |
| InChI Key | MYYLMIDEMAPSGH-UHFFFAOYNA-N |
| Molecular Formula | C9H12O4 |
Isoamyl Propionate 98.0+%, TCI America™
CAS: 105-68-0 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00048611 InChI Key: XAOGXQMKWQFZEM-UHFFFAOYSA-N Synonym: isoamyl propionate,isoamyl propanoate,isopentyl propanoate,3-methylbutyl propionate,isopentyl propionate,isopentyl alcohol, propionate,1-butanol, 3-methyl-, propanoate,iso-pentyl propionate,propionic acid, isopentyl ester,3-methyl-1-butyl propanoate PubChem CID: 7772 ChEBI: CHEBI:87419 IUPAC Name: 3-methylbutyl propanoate SMILES: CCC(=O)OCCC(C)C
| PubChem CID | 7772 |
|---|---|
| CAS | 105-68-0 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:87419 |
| MDL Number | MFCD00048611 |
| SMILES | CCC(=O)OCCC(C)C |
| Synonym | isoamyl propionate,isoamyl propanoate,isopentyl propanoate,3-methylbutyl propionate,isopentyl propionate,isopentyl alcohol, propionate,1-butanol, 3-methyl-, propanoate,iso-pentyl propionate,propionic acid, isopentyl ester,3-methyl-1-butyl propanoate |
| IUPAC Name | 3-methylbutyl propanoate |
| InChI Key | XAOGXQMKWQFZEM-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Phenylphosphonic Acid Disodium Salt Hydrate 98.0+%, TCI America™
CAS: 25148-85-0 Molecular Formula: C6H5Na2O3P Molecular Weight (g/mol): 202.056 MDL Number: MFCD00058972 InChI Key: JOQAMSDLZYQHMX-UHFFFAOYSA-L Synonym: Benzenephosphonic Acid Disodium Salt PubChem CID: 12499978 IUPAC Name: disodium;dioxido-oxo-phenyl-$l^{5}-phosphane SMILES: C1=CC=C(C=C1)P(=O)([O-])[O-].[Na+].[Na+]
| PubChem CID | 12499978 |
|---|---|
| CAS | 25148-85-0 |
| Molecular Weight (g/mol) | 202.056 |
| MDL Number | MFCD00058972 |
| SMILES | C1=CC=C(C=C1)P(=O)([O-])[O-].[Na+].[Na+] |
| Synonym | Benzenephosphonic Acid Disodium Salt |
| IUPAC Name | disodium;dioxido-oxo-phenyl-$l^{5}-phosphane |
| InChI Key | JOQAMSDLZYQHMX-UHFFFAOYSA-L |
| Molecular Formula | C6H5Na2O3P |
Isopropyl Palmitate 97.0+%, TCI America™
CAS: 142-91-6 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00008993 InChI Key: XUGNVMKQXJXZCD-UHFFFAOYSA-N Synonym: isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit PubChem CID: 8907 ChEBI: CHEBI:84262 IUPAC Name: propan-2-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8907 |
|---|---|
| CAS | 142-91-6 |
| Molecular Weight (g/mol) | 298.51 |
| ChEBI | CHEBI:84262 |
| MDL Number | MFCD00008993 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit |
| IUPAC Name | propan-2-yl hexadecanoate |
| InChI Key | XUGNVMKQXJXZCD-UHFFFAOYSA-N |
| Molecular Formula | C19H38O2 |
1,3,5-Pentanetricarboxylic Acid 98.0+%, TCI America™
CAS: 6940-58-5 Molecular Formula: C8H12O6 Molecular Weight (g/mol): 204.18 MDL Number: MFCD00020546 InChI Key: ROTJZTYLACIJIG-UHFFFAOYSA-N PubChem CID: 96220 IUPAC Name: pentane-1,3,5-tricarboxylic acid SMILES: OC(=O)CCC(CCC(O)=O)C(O)=O
| PubChem CID | 96220 |
|---|---|
| CAS | 6940-58-5 |
| Molecular Weight (g/mol) | 204.18 |
| MDL Number | MFCD00020546 |
| SMILES | OC(=O)CCC(CCC(O)=O)C(O)=O |
| IUPAC Name | pentane-1,3,5-tricarboxylic acid |
| InChI Key | ROTJZTYLACIJIG-UHFFFAOYSA-N |
| Molecular Formula | C8H12O6 |
4-Hydroxybenzenesulfonic Acid Hydrate 85.0+%, TCI America™
CAS: 98-67-9 Molecular Formula: C6H6O4S Molecular Weight (g/mol): 174.17 MDL Number: MFCD00007506 InChI Key: FEPBITJSIHRMRT-UHFFFAOYSA-N Synonym: p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid PubChem CID: 4765 ChEBI: CHEBI:32354 IUPAC Name: 4-hydroxybenzene-1-sulfonic acid SMILES: OC1=CC=C(C=C1)S(O)(=O)=O
| PubChem CID | 4765 |
|---|---|
| CAS | 98-67-9 |
| Molecular Weight (g/mol) | 174.17 |
| ChEBI | CHEBI:32354 |
| MDL Number | MFCD00007506 |
| SMILES | OC1=CC=C(C=C1)S(O)(=O)=O |
| Synonym | p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid |
| IUPAC Name | 4-hydroxybenzene-1-sulfonic acid |
| InChI Key | FEPBITJSIHRMRT-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4S |
(2-Carboxyethyl)phenylphosphinic Acid 98.0+%, TCI America™
CAS: 14657-64-8 Molecular Formula: C9H11O4P Molecular Weight (g/mol): 214.157 MDL Number: MFCD08704562 InChI Key: MORLYCDUFHDZKO-UHFFFAOYSA-N PubChem CID: 11287340 IUPAC Name: 3-[hydroxy(phenyl)phosphoryl]propanoic acid SMILES: C1=CC=C(C=C1)P(=O)(CCC(=O)O)O
| PubChem CID | 11287340 |
|---|---|
| CAS | 14657-64-8 |
| Molecular Weight (g/mol) | 214.157 |
| MDL Number | MFCD08704562 |
| SMILES | C1=CC=C(C=C1)P(=O)(CCC(=O)O)O |
| IUPAC Name | 3-[hydroxy(phenyl)phosphoryl]propanoic acid |
| InChI Key | MORLYCDUFHDZKO-UHFFFAOYSA-N |
| Molecular Formula | C9H11O4P |
Dicyclohexyl(trifluoromethanesulfonyloxy)borane 98.0+%, TCI America™
CAS: 145412-54-0 Molecular Formula: C13H22BF3O3S Molecular Weight (g/mol): 326.181 MDL Number: MFCD06797094 InChI Key: FBVDLYBQGQLANQ-UHFFFAOYSA-N Synonym: Dicyclohexylboron Triflate, Trifluoromethanesulfonic Acid Dicyclohexylboryl Ester PubChem CID: 10958346 IUPAC Name: dicyclohexylboranyl trifluoromethanesulfonate SMILES: B(C1CCCCC1)(C2CCCCC2)OS(=O)(=O)C(F)(F)F
| PubChem CID | 10958346 |
|---|---|
| CAS | 145412-54-0 |
| Molecular Weight (g/mol) | 326.181 |
| MDL Number | MFCD06797094 |
| SMILES | B(C1CCCCC1)(C2CCCCC2)OS(=O)(=O)C(F)(F)F |
| Synonym | Dicyclohexylboron Triflate, Trifluoromethanesulfonic Acid Dicyclohexylboryl Ester |
| IUPAC Name | dicyclohexylboranyl trifluoromethanesulfonate |
| InChI Key | FBVDLYBQGQLANQ-UHFFFAOYSA-N |
| Molecular Formula | C13H22BF3O3S |
Creatinol Phosphate 98.0+%, TCI America™
CAS: 6903-79-3 Molecular Formula: C4H12N3O4P Molecular Weight (g/mol): 197.13 MDL Number: MFCD00868297 InChI Key: FOIPWTMKYXWFGC-UHFFFAOYSA-N Synonym: 2-(1-Methylguanidino)ethyl Dihydrogen Phosphate PubChem CID: 23342 IUPAC Name: [2-(N-methylcarbamimidamido)ethoxy]phosphonic acid SMILES: CN(CCOP(O)(O)=O)C(N)=N
| PubChem CID | 23342 |
|---|---|
| CAS | 6903-79-3 |
| Molecular Weight (g/mol) | 197.13 |
| MDL Number | MFCD00868297 |
| SMILES | CN(CCOP(O)(O)=O)C(N)=N |
| Synonym | 2-(1-Methylguanidino)ethyl Dihydrogen Phosphate |
| IUPAC Name | [2-(N-methylcarbamimidamido)ethoxy]phosphonic acid |
| InChI Key | FOIPWTMKYXWFGC-UHFFFAOYSA-N |
| Molecular Formula | C4H12N3O4P |