9,10-Dioxo-9,10-dihydroanthracene-1-carboxylic Acid - CAS 602-69-7
Catalog: |
BB030632 |
Product Name: |
9,10-Dioxo-9,10-dihydroanthracene-1-carboxylic Acid |
CAS: |
602-69-7 |
Synonyms: |
9,10-dioxo-1-anthracenecarboxylic acid; 9,10-dioxoanthracene-1-carboxylic acid |
IUPAC Name: | 9,10-dioxoanthracene-1-carboxylic acid |
Description: | 9,10-Dioxo-9,10-dihydroanthracene-1-carboxylic Acid (CAS# 602-69-7) 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(=CC=C3)C(=O)O |
InChI: | InChI=1S/C15H8O4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H,(H,18,19) |
InChI Key: | POPBYCBXVLHSKO-UHFFFAOYSA-N |
Boiling Point: | 513 °C at 760 mmHg |
Density: | 1.469 g/cm3 |
MDL: | MFCD00632343 |
LogP: | 2.16020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22142726 | 20111210 | Laccase chloride inhibition reduction by an anthraquinonic substrate | Enzyme and microbial technology |
17227036 | 20070124 | Formation of water-dispersible nanotubular graphitic assembly decorated with isothiouronium ion groups and its supramolecular functionalization | Journal of the American Chemical Society |
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: | 2.9 |
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