2-(4-Hydroxybenzoyl)benzoic acid - CAS 85-57-4
Catalog: |
BB050121 |
Product Name: |
2-(4-Hydroxybenzoyl)benzoic acid |
CAS: |
85-57-4 |
Synonyms: |
Benzoic acid, 2-(4-hydroxybenzoyl)-; Benzoic acid, o-(p-hydroxybenzoyl)-; 2-(4'-Hydroxybenzoyl)benzoic acid; 4'-Hydroxy-2-benzoylbenzoic acid; Hibenzate; NSC 122980; NSC 57609; o-(p-Hydroxybenzoyl)benzoic acid; Phthalein acid |
IUPAC Name: | 2-(4-hydroxybenzoyl)benzoic acid |
Molecular Weight: | 242.23 |
Molecular Formula: | C14H10O4 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)O |
InChI: | InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18) |
InChI Key: | YGTUPRIZNBMOFV-UHFFFAOYSA-N |
Boiling Point: | 512.6±35.0°C at 760 mmHg |
Melting Point: | 213°C |
Purity: | 95% |
Density: | 1.356±0.06 g/cm3 |
Appearance: | White powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0579088 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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