3-Benzoylbenzoic acid - CAS 579-18-0
Catalog: |
BB029864 |
Product Name: |
3-Benzoylbenzoic acid |
CAS: |
579-18-0 |
Synonyms: |
3-benzoylbenzoic acid |
IUPAC Name: | 3-benzoylbenzoic acid |
Description: | 3-Benzoylbenzoic acid (CAS# 579-18-0) is a useful research chemical. |
Molecular Weight: | 226.23 |
Molecular Formula: | C14H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17) |
InChI Key: | AXJXRLHTQQONQR-UHFFFAOYSA-N |
Boiling Point: | 428.9 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.256 g/cm3 |
MDL: | MFCD00002518 |
LogP: | 2.61580 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21369435 | 20081101 | In situ formed phase transited drug delivery system of ketoprofen for achieving osmotic, controlled and level a in vitro in vivo correlation | Indian journal of pharmaceutical sciences |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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