Nsc28620
4-(2-carboxybenzoyl)phthalic acid
Also Known As: 4-(2-carboxybenzoyl)phthalic acid|Compound 28620|NCIStruc1_001017|NCIStruc2_001156|18-Beta-hydroxy-3-epi-alpha-yohimbine|4-(2-carboxybenzoyl)benzene-1,2-dicarboxylic acid|NCGC00013354-02|NCGC00096471-01|2',3,4-BENZOPHENONETRICARBOXYLIC ACID|NCI60_002348|1,2-Benzenedicarboxylicacid, 4-(2-carboxybenzoyl)-|J3.669.174C|1,2-Benzenedicarboxylic acid, 4-(2-carboxybenzoyl)-|1,2-Benzenedicarboxylicacid,4-(2-carboxybenzoyl)-|4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxylic acid|622-160-6
| Molecular Formula | C16H10O7 |
|---|---|
| Molecular Weight | 314.04266 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.04266 |
| Monoisotopic Mass | 314.04266 |
| Heavy Atoms | 23 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 81703-06-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | HVFUYBNYHCZLSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nsc28620 (CAS 81703-06-2), with molecular formula C16H10O7 and molecular weight 314.04266 g/mol. IUPAC: 4-(2-carboxybenzoyl)phthalic acid.
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