1,2-Chrysenedione - CAS 2304-83-8
Catalog: |
BB062492 |
Product Name: |
1,2-Chrysenedione |
CAS: |
2304-83-8 |
Synonyms: |
1,2-Chrysoquinone; Chrysene-1,2-quinone |
IUPAC Name: | chrysene-1,2-dione |
Description: | 1,2-Chrysenedione is a PAHQ, polycyclic aromatic hydrocarbon quinones, and studied as possible carcinogens. |
Molecular Weight: | 258.27 |
Molecular Formula: | C18H10O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC(=O)C4=O |
InChI: | InChI=1S/C18H10O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10H |
InChI Key: | KXQDINHHHLYVOC-UHFFFAOYSA-N |
References: | Shultz, C.A., et al. Chem. Res. Toxicol., 24, 2153-66 (2011). |
Complexity: | 464 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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