Anthraquinone-2-carboxylic acid - CAS 117-78-2
Catalog: |
BB004010 |
Product Name: |
Anthraquinone-2-carboxylic acid |
CAS: |
117-78-2 |
Synonyms: |
9,10-dioxoanthracene-2-carboxylic acid |
IUPAC Name: | 9,10-dioxoanthracene-2-carboxylic acid |
Description: | Anthraquinone-2-carboxylic acid (CAS# 117-78-2) is a useful research chemical. |
Molecular Weight: | 252.22 |
Molecular Formula: | C15H8O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
InChI: | InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19) |
InChI Key: | ASDLSKCKYGVMAI-UHFFFAOYSA-N |
Boiling Point: | 518.3 °C at 760 mmHg |
Melting Point: | 287-289 °C |
Purity: | > 99.0 % (T) |
Density: | 1.469 g/cm3 |
Appearance: | Yellow to tan solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00001231 |
LogP: | 2.16020 |
GHS Hazard Statement: | H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] |
Precautionary Statement: | P201, P202, P281, P308+P313, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22144110 | 20120101 | Comparison of dispersive liquid-liquid microextraction based on organic solvent and ionic liquid combined with high-performance liquid chromatography for the analysis of emodin and its metabolites in urine samples | Journal of separation science |
21954012 | 20111024 | Intermolecular and intracomplex photoinduced electron transfer from planar and nonplanar metalloporphyrins to p-quinones | Chemistry (Weinheim an der Bergstrasse, Germany) |
21194920 | 20110215 | Simultaneous topographic and amperometric membrane mapping using an AFM probe integrated biosensor | Biosensors & bioelectronics |
20097567 | 20100215 | Potent inhibitor scaffold against Trypanosoma cruzi trans-sialidase | Bioorganic & medicinal chemistry |
18332536 | 20080301 | Adsorption state and morphology of anthraquinone-2-carboxylic acid deposited from solution onto the atomically-smooth native oxide surface of Al(111) films studied by infrared reflection absorption spectroscopy, X-ray photoelectron spectroscopy, and atomic force microscopy | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
Complexity: | 428 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.04225873 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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