Organic acids and derivatives
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Ethyl Phthalyl Ethyl Glycolate 95.0+%, TCI America™
CAS: 84-72-0 Molecular Formula: C14H16O6 Molecular Weight (g/mol): 280.28 MDL Number: MFCD00059377 InChI Key: PZBLUWVMZMXIKZ-UHFFFAOYSA-N Synonym: Ethoxycarbonylmethyl Ethyl Phthalate, Phthalic Acid Ethoxycarbonylmethyl Ethyl Ester PubChem CID: 6785 IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethoxy)carbonyl]benzoate SMILES: CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC
| PubChem CID | 6785 |
|---|---|
| CAS | 84-72-0 |
| Molecular Weight (g/mol) | 280.28 |
| MDL Number | MFCD00059377 |
| SMILES | CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC |
| Synonym | Ethoxycarbonylmethyl Ethyl Phthalate, Phthalic Acid Ethoxycarbonylmethyl Ethyl Ester |
| IUPAC Name | ethyl 2-[(2-ethoxy-2-oxoethoxy)carbonyl]benzoate |
| InChI Key | PZBLUWVMZMXIKZ-UHFFFAOYSA-N |
| Molecular Formula | C14H16O6 |
5-Pyrimidylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 109299-78-7 Molecular Formula: C4H5BN2O2 Molecular Weight (g/mol): 123.91 MDL Number: MFCD03002366 InChI Key: HZFPPBMKGYINDF-UHFFFAOYSA-N Synonym: 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid PubChem CID: 2795193 IUPAC Name: (pyrimidin-5-yl)boronic acid SMILES: OB(O)C1=CN=CN=C1
| PubChem CID | 2795193 |
|---|---|
| CAS | 109299-78-7 |
| Molecular Weight (g/mol) | 123.91 |
| MDL Number | MFCD03002366 |
| SMILES | OB(O)C1=CN=CN=C1 |
| Synonym | 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid |
| IUPAC Name | (pyrimidin-5-yl)boronic acid |
| InChI Key | HZFPPBMKGYINDF-UHFFFAOYSA-N |
| Molecular Formula | C4H5BN2O2 |
Pentyl Valerate 98.0+%, TCI America™
CAS: 2173-56-0 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00042904 InChI Key: FGPPDYNPZTUNIU-UHFFFAOYSA-N Synonym: pentyl valerate,amyl valerate,pentanoic acid, pentyl ester,n-pentyl valerate,amyl valerianate,valeric acid, pentyl ester,1-pentyl n-valerate,valeric acid pentyl ester,pentanoicacid, pentyl ester,pentanoic acid pentyl ester PubChem CID: 62433 IUPAC Name: pentyl pentanoate SMILES: CCCCCOC(=O)CCCC
| PubChem CID | 62433 |
|---|---|
| CAS | 2173-56-0 |
| Molecular Weight (g/mol) | 172.27 |
| MDL Number | MFCD00042904 |
| SMILES | CCCCCOC(=O)CCCC |
| Synonym | pentyl valerate,amyl valerate,pentanoic acid, pentyl ester,n-pentyl valerate,amyl valerianate,valeric acid, pentyl ester,1-pentyl n-valerate,valeric acid pentyl ester,pentanoicacid, pentyl ester,pentanoic acid pentyl ester |
| IUPAC Name | pentyl pentanoate |
| InChI Key | FGPPDYNPZTUNIU-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
3-(Ethoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 4334-87-6 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.99 MDL Number: MFCD02179444 InChI Key: REHVCPNQQBDOJJ-UHFFFAOYSA-N PubChem CID: 3249312 IUPAC Name: [3-(ethoxycarbonyl)phenyl]boronic acid SMILES: CCOC(=O)C1=CC=CC(=C1)B(O)O
| PubChem CID | 3249312 |
|---|---|
| CAS | 4334-87-6 |
| Molecular Weight (g/mol) | 193.99 |
| MDL Number | MFCD02179444 |
| SMILES | CCOC(=O)C1=CC=CC(=C1)B(O)O |
| IUPAC Name | [3-(ethoxycarbonyl)phenyl]boronic acid |
| InChI Key | REHVCPNQQBDOJJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11BO4 |
Ethyl Fluoroacetate 98.0+%, TCI America™
CAS: 459-72-3 Molecular Formula: C4H7FO2 Molecular Weight (g/mol): 106.096 MDL Number: MFCD00000450 InChI Key: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonym: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 IUPAC Name: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF
| PubChem CID | 9988 |
|---|---|
| CAS | 459-72-3 |
| Molecular Weight (g/mol) | 106.096 |
| MDL Number | MFCD00000450 |
| SMILES | CCOC(=O)CF |
| Synonym | ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester |
| IUPAC Name | ethyl 2-fluoroacetate |
| InChI Key | VCYZVXRKYPKDQB-UHFFFAOYSA-N |
| Molecular Formula | C4H7FO2 |
N-Tris(hydroxymethyl)methyl-3-aminopropanesulfonic Acid 98.0+%, TCI America™
CAS: 29915-38-6 Molecular Formula: C7H17NO6S Molecular Weight (g/mol): 243.27 MDL Number: MFCD00007538 InChI Key: YNLCVAQJIKOXER-UHFFFAOYSA-N Synonym: taps,3-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino propane-1-sulfonic acid,unii-y5dc3in066,n-tris hydroxymethyl methyl-3-aminopropanesulfonic acid,2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,taps buffer,1-propanesulfonic acid, 3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino PubChem CID: 121591 IUPAC Name: 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid SMILES: OCC(CO)(CO)NCCCS(O)(=O)=O
| PubChem CID | 121591 |
|---|---|
| CAS | 29915-38-6 |
| Molecular Weight (g/mol) | 243.27 |
| MDL Number | MFCD00007538 |
| SMILES | OCC(CO)(CO)NCCCS(O)(=O)=O |
| Synonym | taps,3-1,3-dihydroxy-2-hydroxymethyl propan-2-yl amino propane-1-sulfonic acid,unii-y5dc3in066,n-tris hydroxymethyl methyl-3-aminopropanesulfonic acid,2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino-1-propanesulfonic acid,taps buffer,1-propanesulfonic acid, 3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino |
| IUPAC Name | 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid |
| InChI Key | YNLCVAQJIKOXER-UHFFFAOYSA-N |
| Molecular Formula | C7H17NO6S |
Tris(4-nitrophenyl) Phosphate 98.0+%, TCI America™
CAS: 3871-20-3 Molecular Formula: C18H12N3O10P Molecular Weight (g/mol): 461.279 MDL Number: MFCD00024649 InChI Key: RZSPPBDBWOJRII-UHFFFAOYSA-N Synonym: Phosphoric Acid Tris(4-nitrophenyl) Ester PubChem CID: 77473 IUPAC Name: tris(4-nitrophenyl) phosphate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
| PubChem CID | 77473 |
|---|---|
| CAS | 3871-20-3 |
| Molecular Weight (g/mol) | 461.279 |
| MDL Number | MFCD00024649 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-] |
| Synonym | Phosphoric Acid Tris(4-nitrophenyl) Ester |
| IUPAC Name | tris(4-nitrophenyl) phosphate |
| InChI Key | RZSPPBDBWOJRII-UHFFFAOYSA-N |
| Molecular Formula | C18H12N3O10P |
2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl Fluoride 98.0+%, TCI America™
CAS: 3934-29-0 Molecular Formula: C14H19FO9 Molecular Weight (g/mol): 350.30 MDL Number: MFCD00792705 InChI Key: JJXATNWYELAACC-UHFFFAOYNA-N PubChem CID: 11142654 IUPAC Name: [3,4,5-tris(acetyloxy)-6-fluorooxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(F)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 11142654 |
|---|---|
| CAS | 3934-29-0 |
| Molecular Weight (g/mol) | 350.30 |
| MDL Number | MFCD00792705 |
| SMILES | CC(=O)OCC1OC(F)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| IUPAC Name | [3,4,5-tris(acetyloxy)-6-fluorooxan-2-yl]methyl acetate |
| InChI Key | JJXATNWYELAACC-UHFFFAOYNA-N |
| Molecular Formula | C14H19FO9 |
1,3,5-Triacryloylhexahydro-1,3,5-triazine 98.0+%, TCI America™
CAS: 959-52-4 Molecular Formula: C12H15N3O3 Molecular Weight (g/mol): 249.27 MDL Number: MFCD00035738 InChI Key: FYBFGAFWCBMEDG-UHFFFAOYSA-N PubChem CID: 70397 IUPAC Name: 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one SMILES: C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C
| PubChem CID | 70397 |
|---|---|
| CAS | 959-52-4 |
| Molecular Weight (g/mol) | 249.27 |
| MDL Number | MFCD00035738 |
| SMILES | C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C |
| IUPAC Name | 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one |
| InChI Key | FYBFGAFWCBMEDG-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3O3 |
4-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 139301-27-2 Molecular Formula: C7H6BF3O3 Molecular Weight (g/mol): 205.93 MDL Number: MFCD01074648 InChI Key: HUOFUOCSQCYFPW-UHFFFAOYSA-N PubChem CID: 2734386 IUPAC Name: [4-(trifluoromethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 2734386 |
|---|---|
| CAS | 139301-27-2 |
| Molecular Weight (g/mol) | 205.93 |
| MDL Number | MFCD01074648 |
| SMILES | OB(O)C1=CC=C(OC(F)(F)F)C=C1 |
| IUPAC Name | [4-(trifluoromethoxy)phenyl]boronic acid |
| InChI Key | HUOFUOCSQCYFPW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O3 |
Ethyl 2-Iodopropionate 97.0+%, TCI America™
CAS: 31253-08-4 Molecular Formula: C5H9IO2 Molecular Weight (g/mol): 228.029 MDL Number: MFCD02258628 InChI Key: AVMMXNKUHBWIMU-UHFFFAOYSA-N Synonym: 2-Iodopropionic Acid Ethyl Ester PubChem CID: 10922254 IUPAC Name: ethyl 2-iodopropanoate SMILES: CCOC(=O)C(C)I
| PubChem CID | 10922254 |
|---|---|
| CAS | 31253-08-4 |
| Molecular Weight (g/mol) | 228.029 |
| MDL Number | MFCD02258628 |
| SMILES | CCOC(=O)C(C)I |
| Synonym | 2-Iodopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-iodopropanoate |
| InChI Key | AVMMXNKUHBWIMU-UHFFFAOYSA-N |
| Molecular Formula | C5H9IO2 |
Ethyl 2-Iodo-2-methylpropionate 94.0+%, TCI America™
CAS: 7425-55-0 Molecular Formula: C6H11IO2 Molecular Weight (g/mol): 242.056 InChI Key: AYVTVRNTNCEPSH-UHFFFAOYSA-N Synonym: 2-Iodo-2-methylpropionic Acid Ethyl Ester PubChem CID: 11299482 IUPAC Name: ethyl 2-iodo-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)I
| PubChem CID | 11299482 |
|---|---|
| CAS | 7425-55-0 |
| Molecular Weight (g/mol) | 242.056 |
| SMILES | CCOC(=O)C(C)(C)I |
| Synonym | 2-Iodo-2-methylpropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-iodo-2-methylpropanoate |
| InChI Key | AYVTVRNTNCEPSH-UHFFFAOYSA-N |
| Molecular Formula | C6H11IO2 |
2-Ethoxy-5-methylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 123291-97-4 Molecular Formula: C9H13BO3 Molecular Weight (g/mol): 180.01 MDL Number: MFCD00196832 InChI Key: KBGGTPGSWHNQEX-UHFFFAOYSA-N PubChem CID: 4615191 IUPAC Name: (2-ethoxy-5-methylphenyl)boronic acid SMILES: CCOC1=C(C=C(C)C=C1)B(O)O
| PubChem CID | 4615191 |
|---|---|
| CAS | 123291-97-4 |
| Molecular Weight (g/mol) | 180.01 |
| MDL Number | MFCD00196832 |
| SMILES | CCOC1=C(C=C(C)C=C1)B(O)O |
| IUPAC Name | (2-ethoxy-5-methylphenyl)boronic acid |
| InChI Key | KBGGTPGSWHNQEX-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO3 |
S-(2-Methyl-3-furyl) Thioacetate 96.0+%, TCI America™
CAS: 55764-25-5 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD01632595 InChI Key: PQFIBPDAGFGLBY-UHFFFAOYSA-N Synonym: 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone PubChem CID: 108765 IUPAC Name: 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one SMILES: CC(=O)SC1=C(C)OC=C1
| PubChem CID | 108765 |
|---|---|
| CAS | 55764-25-5 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD01632595 |
| SMILES | CC(=O)SC1=C(C)OC=C1 |
| Synonym | 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone |
| IUPAC Name | 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one |
| InChI Key | PQFIBPDAGFGLBY-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
Methyl 3-Hydroxy-2-thiophenecarboxylate 97.0+%, TCI America™
CAS: 5118-06-9 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.17 MDL Number: MFCD00055642 InChI Key: FYOPNADYSPZUAT-WAYWQWQTSA-N Synonym: methyl 3-hydroxy-2-thiophenecarboxylate,3-hydroxy-2-thiophenecarboxylic acid methyl ester,3-hydroxy-thiophene-2-carboxylic acid methyl ester,3-hydroxythiophene-2-carboxylic acid methyl ester,pubchem7744,acmc-1aqhj,maybridge3_005989,3-hydroxy-2-methoxycarbonylthiophene,3-hydroxy-2-methoxycarbonyl-thiophene,methyl 3-hydroxythiophen-2-caboxylate PubChem CID: 581127 IUPAC Name: methyl 3-hydroxythiophene-2-carboxylate SMILES: COC(=O)C1=C(C=CS1)O
| PubChem CID | 581127 |
|---|---|
| CAS | 5118-06-9 |
| Molecular Weight (g/mol) | 158.17 |
| MDL Number | MFCD00055642 |
| SMILES | COC(=O)C1=C(C=CS1)O |
| Synonym | methyl 3-hydroxy-2-thiophenecarboxylate,3-hydroxy-2-thiophenecarboxylic acid methyl ester,3-hydroxy-thiophene-2-carboxylic acid methyl ester,3-hydroxythiophene-2-carboxylic acid methyl ester,pubchem7744,acmc-1aqhj,maybridge3_005989,3-hydroxy-2-methoxycarbonylthiophene,3-hydroxy-2-methoxycarbonyl-thiophene,methyl 3-hydroxythiophen-2-caboxylate |
| IUPAC Name | methyl 3-hydroxythiophene-2-carboxylate |
| InChI Key | FYOPNADYSPZUAT-WAYWQWQTSA-N |
| Molecular Formula | C6H6O3S |