Organic acids and derivatives
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(+/-)-1,1'-Binaphthyl-2,2'-diyl Hydrogenphosphate 98.0+%, TCI America™
CAS: 35193-63-6 Molecular Formula: C20H13O4P Molecular Weight (g/mol): 348.294 MDL Number: MFCD00010045 InChI Key: JEHUZVBIUCAMRZ-UHFFFAOYSA-N Synonym: 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide PubChem CID: 99589 SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O
| PubChem CID | 99589 |
|---|---|
| CAS | 35193-63-6 |
| Molecular Weight (g/mol) | 348.294 |
| MDL Number | MFCD00010045 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O |
| Synonym | 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide |
| InChI Key | JEHUZVBIUCAMRZ-UHFFFAOYSA-N |
| Molecular Formula | C20H13O4P |
Hexadecyl Gallate 95.0+%, TCI America™
CAS: 5026-65-3 Molecular Formula: C23H38O5 Molecular Weight (g/mol): 394.55 MDL Number: MFCD00016428 InChI Key: TYCUSKFOGZNIBO-UHFFFAOYSA-N Synonym: Cetyl Gallate, Gallic Acid Cetyl Ester, Gallic Acid Hexadecyl Ester PubChem CID: 78729 IUPAC Name: hexadecyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1
| PubChem CID | 78729 |
|---|---|
| CAS | 5026-65-3 |
| Molecular Weight (g/mol) | 394.55 |
| MDL Number | MFCD00016428 |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 |
| Synonym | Cetyl Gallate, Gallic Acid Cetyl Ester, Gallic Acid Hexadecyl Ester |
| IUPAC Name | hexadecyl 3,4,5-trihydroxybenzoate |
| InChI Key | TYCUSKFOGZNIBO-UHFFFAOYSA-N |
| Molecular Formula | C23H38O5 |
Ethyl DL-3-Hydroxybutyrate 98.0+%, TCI America™
CAS: 5405-41-4 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004545 InChI Key: OMSUIQOIVADKIM-UHFFFAOYNA-N Synonym: ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate PubChem CID: 62572 ChEBI: CHEBI:87685 IUPAC Name: ethyl 3-hydroxybutanoate SMILES: CCOC(=O)CC(C)O
| PubChem CID | 62572 |
|---|---|
| CAS | 5405-41-4 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:87685 |
| MDL Number | MFCD00004545 |
| SMILES | CCOC(=O)CC(C)O |
| Synonym | ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate |
| IUPAC Name | ethyl 3-hydroxybutanoate |
| InChI Key | OMSUIQOIVADKIM-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
3-(3-Nitrophenyl)propionic Acid 98.0+%, TCI America™
CAS: 1664-57-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01310835 InChI Key: ZOANOABZUNJOJT-UHFFFAOYSA-N Synonym: 3-Nitrohydrocinnamic Acid PubChem CID: 2760224 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O
| PubChem CID | 2760224 |
|---|---|
| CAS | 1664-57-9 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD01310835 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O |
| Synonym | 3-Nitrohydrocinnamic Acid |
| InChI Key | ZOANOABZUNJOJT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
1-Hydroxyphenazine 95.0+%, TCI America™
CAS: 528-71-2 Molecular Formula: C12H8N2O Molecular Weight (g/mol): 196.209 MDL Number: MFCD00059692 InChI Key: KLJWTLFECGZQCL-UHFFFAOYSA-N PubChem CID: 68249 IUPAC Name: 5H-phenazin-1-one SMILES: C1=CC=C2C(=C1)NC3=CC=CC(=O)C3=N2
| PubChem CID | 68249 |
|---|---|
| CAS | 528-71-2 |
| Molecular Weight (g/mol) | 196.209 |
| MDL Number | MFCD00059692 |
| SMILES | C1=CC=C2C(=C1)NC3=CC=CC(=O)C3=N2 |
| IUPAC Name | 5H-phenazin-1-one |
| InChI Key | KLJWTLFECGZQCL-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O |
7-Fluoro-6-nitroquinazolin-4(1H)-one 98.0+%, TCI America™
CAS: 162012-69-3 Molecular Formula: C8H4FN3O3 Molecular Weight (g/mol): 209.136 MDL Number: MFCD08690890 InChI Key: VTUAEMSZEIGQRM-UHFFFAOYSA-N Synonym: 7-Fluoro-6-nitroquinazolin-4(3H)-one, 7-Fluoro-4-hydroxy-6-nitroquinazoline PubChem CID: 7063911 IUPAC Name: 7-fluoro-6-nitro-1H-quinazolin-4-one SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])F)NC=NC2=O
| PubChem CID | 7063911 |
|---|---|
| CAS | 162012-69-3 |
| Molecular Weight (g/mol) | 209.136 |
| MDL Number | MFCD08690890 |
| SMILES | C1=C2C(=CC(=C1[N+](=O)[O-])F)NC=NC2=O |
| Synonym | 7-Fluoro-6-nitroquinazolin-4(3H)-one, 7-Fluoro-4-hydroxy-6-nitroquinazoline |
| IUPAC Name | 7-fluoro-6-nitro-1H-quinazolin-4-one |
| InChI Key | VTUAEMSZEIGQRM-UHFFFAOYSA-N |
| Molecular Formula | C8H4FN3O3 |
(+)-Diacetyl-L-tartaric Anhydride 97.0+%, TCI America™
CAS: 6283-74-5 Molecular Formula: C8H8O7 Molecular Weight (g/mol): 216.15 MDL Number: MFCD00037918 InChI Key: XAKITKDHDMPGPW-IOMOGOHMNA-N Synonym: 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl diacetate,unii-d7xnf76o0k,+-diacetyl-l-tartaric anhydride,d7xnf76o0k,2,5-furandione, 3,4-bis acetyloxy dihydro-, 3r,4r,3r,4r-4-acetyloxy-2,5-dioxooxolan-3-yl acetate,di-o-acetyl-l-tartaric anhydride,o,o-diacetyl tartaric acid anhydride,acetic acid 4-acetoxy-2,5-dioxo-tetrahydro-furan-3-yl ester,3r-trans-dihydro-2,5-dioxofuran-3,4-diyl diacetate PubChem CID: 513914 IUPAC Name: (3R,4R)-4-(acetyloxy)-2,5-dioxooxolan-3-yl acetate SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)OC1=O
| PubChem CID | 513914 |
|---|---|
| CAS | 6283-74-5 |
| Molecular Weight (g/mol) | 216.15 |
| MDL Number | MFCD00037918 |
| SMILES | CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)OC1=O |
| Synonym | 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl diacetate,unii-d7xnf76o0k,+-diacetyl-l-tartaric anhydride,d7xnf76o0k,2,5-furandione, 3,4-bis acetyloxy dihydro-, 3r,4r,3r,4r-4-acetyloxy-2,5-dioxooxolan-3-yl acetate,di-o-acetyl-l-tartaric anhydride,o,o-diacetyl tartaric acid anhydride,acetic acid 4-acetoxy-2,5-dioxo-tetrahydro-furan-3-yl ester,3r-trans-dihydro-2,5-dioxofuran-3,4-diyl diacetate |
| IUPAC Name | (3R,4R)-4-(acetyloxy)-2,5-dioxooxolan-3-yl acetate |
| InChI Key | XAKITKDHDMPGPW-IOMOGOHMNA-N |
| Molecular Formula | C8H8O7 |
1,2,4,5-Cyclohexanetetracarboxylic Acid 98.0+%, TCI America™
CAS: 15383-49-0 Molecular Formula: C10H12O8 Molecular Weight (g/mol): 260.198 MDL Number: MFCD00435556 InChI Key: ZPAKUZKMGJJMAA-UHFFFAOYSA-N PubChem CID: 2834946 IUPAC Name: cyclohexane-1,2,4,5-tetracarboxylic acid SMILES: C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 2834946 |
|---|---|
| CAS | 15383-49-0 |
| Molecular Weight (g/mol) | 260.198 |
| MDL Number | MFCD00435556 |
| SMILES | C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,2,4,5-tetracarboxylic acid |
| InChI Key | ZPAKUZKMGJJMAA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O8 |
Chicoric Acid 98.0+%, TCI America™
CAS: 70831-56-0 Molecular Formula: C22H18O12 Molecular Weight (g/mol): 474.374 MDL Number: MFCD22683653 InChI Key: YDDGKXBLOXEEMN-IABMMNSOSA-N Synonym: (2R,3R)-2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic Acid PubChem CID: 5281764 ChEBI: CHEBI:3594 IUPAC Name: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid SMILES: C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O
| PubChem CID | 5281764 |
|---|---|
| CAS | 70831-56-0 |
| Molecular Weight (g/mol) | 474.374 |
| ChEBI | CHEBI:3594 |
| MDL Number | MFCD22683653 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O |
| Synonym | (2R,3R)-2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic Acid |
| IUPAC Name | (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid |
| InChI Key | YDDGKXBLOXEEMN-IABMMNSOSA-N |
| Molecular Formula | C22H18O12 |
3-Noradamantanecarboxylic Acid 98.0+%, TCI America™
CAS: 16200-53-6 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00213463 InChI Key: RXUUYFUQAGICCD-NLZKFAMNSA-N Synonym: 3-noradamantanecarboxylic acid,3-noradamantane carboxylic acid,octahydro-2,5-methanopentalene-3a-carboxylic acid,2,5-methanopentalene-3a 1h-carboxylic acid, hexahydro,3-noradamantancarboxylic acid,3-noradamantanecarboxylicacid,rxuuyfuqagiccd-uhfffaoysa,3-noradamantanecarboxylate nac,hexahydro-2,5-methano-pentalene-3a-carboxylic acid,tricyclo 3.3.1.0<3,7> nonane-3-carboxylic acid PubChem CID: 11887834 SMILES: C1C2CC3CC1CC3(C2)C(=O)O
| PubChem CID | 11887834 |
|---|---|
| CAS | 16200-53-6 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00213463 |
| SMILES | C1C2CC3CC1CC3(C2)C(=O)O |
| Synonym | 3-noradamantanecarboxylic acid,3-noradamantane carboxylic acid,octahydro-2,5-methanopentalene-3a-carboxylic acid,2,5-methanopentalene-3a 1h-carboxylic acid, hexahydro,3-noradamantancarboxylic acid,3-noradamantanecarboxylicacid,rxuuyfuqagiccd-uhfffaoysa,3-noradamantanecarboxylate nac,hexahydro-2,5-methano-pentalene-3a-carboxylic acid,tricyclo 3.3.1.0<3,7> nonane-3-carboxylic acid |
| InChI Key | RXUUYFUQAGICCD-NLZKFAMNSA-N |
| Molecular Formula | C10H14O2 |
1,2,4,5-Cyclohexanetetracarboxylic Dianhydride (purified by sublimation) 98.0+%, TCI America™
CAS: 2754-41-8 Molecular Formula: C10H8O6 Molecular Weight (g/mol): 224.17 MDL Number: MFCD13704912 InChI Key: LJMPOXUWPWEILS-UHFFFAOYNA-N PubChem CID: 14453667 IUPAC Name: 5,11-dioxatricyclo[7.3.0.0³,⁷]dodecane-4,6,10,12-tetrone SMILES: O=C1OC(=O)C2CC3C(CC12)C(=O)OC3=O
| PubChem CID | 14453667 |
|---|---|
| CAS | 2754-41-8 |
| Molecular Weight (g/mol) | 224.17 |
| MDL Number | MFCD13704912 |
| SMILES | O=C1OC(=O)C2CC3C(CC12)C(=O)OC3=O |
| IUPAC Name | 5,11-dioxatricyclo[7.3.0.0³,⁷]dodecane-4,6,10,12-tetrone |
| InChI Key | LJMPOXUWPWEILS-UHFFFAOYNA-N |
| Molecular Formula | C10H8O6 |
Ethyl DL-Leucate 98.0+%, TCI America™
CAS: 10348-47-7 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.213 InChI Key: QRHOWVDPHIXNEN-UHFFFAOYSA-N Synonym: DL-Leucic Acid Ethyl Ester, Ethyl DL-2-Hydroxy-4-methylvalerate, DL-2-Hydroxy-4-methylvaleric Acid Ethyl Ester PubChem CID: 112030 IUPAC Name: ethyl 2-hydroxy-4-methylpentanoate SMILES: CCOC(=O)C(CC(C)C)O
| PubChem CID | 112030 |
|---|---|
| CAS | 10348-47-7 |
| Molecular Weight (g/mol) | 160.213 |
| SMILES | CCOC(=O)C(CC(C)C)O |
| Synonym | DL-Leucic Acid Ethyl Ester, Ethyl DL-2-Hydroxy-4-methylvalerate, DL-2-Hydroxy-4-methylvaleric Acid Ethyl Ester |
| IUPAC Name | ethyl 2-hydroxy-4-methylpentanoate |
| InChI Key | QRHOWVDPHIXNEN-UHFFFAOYSA-N |
| Molecular Formula | C8H16O3 |
Ethyl 4-Phenylbutyrate 98.0+%, TCI America™
CAS: 10031-93-3 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00026923 InChI Key: GGFNXKFGVQQNRV-UHFFFAOYSA-N Synonym: 4-Phenylbutyric Acid Ethyl Ester PubChem CID: 61452 IUPAC Name: ethyl 4-phenylbutanoate SMILES: CCOC(=O)CCCC1=CC=CC=C1
| PubChem CID | 61452 |
|---|---|
| CAS | 10031-93-3 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00026923 |
| SMILES | CCOC(=O)CCCC1=CC=CC=C1 |
| Synonym | 4-Phenylbutyric Acid Ethyl Ester |
| IUPAC Name | ethyl 4-phenylbutanoate |
| InChI Key | GGFNXKFGVQQNRV-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl 2,2,2-Trichloroacetimidate 98.0+%, TCI America™
CAS: 92052-29-4 Molecular Formula: C16H20Cl3NO10 Molecular Weight (g/mol): 492.683 InChI Key: IBUZGVQIKARDAF-RGDJUOJXSA-N PubChem CID: 11038322 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 11038322 |
|---|---|
| CAS | 92052-29-4 |
| Molecular Weight (g/mol) | 492.683 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate |
| InChI Key | IBUZGVQIKARDAF-RGDJUOJXSA-N |
| Molecular Formula | C16H20Cl3NO10 |