9-Anthracenepropanoic Acid Ethyl Ester - CAS 109690-74-6
Catalog: |
BB074350 |
Product Name: |
9-Anthracenepropanoic Acid Ethyl Ester |
CAS: |
109690-74-6 |
Synonyms: |
3-(9-Anthracenyl)propionic Acid Ethyl Ester; 3-(9-Anthryl)propionic Acid Ethyl Ester |
IUPAC Name: | 3-anthracen-9-yl-1-(4-methylphenyl)propan-1-one |
Description: | A 9-substituted derivative of the polycyclic aromatic hydrocarbon (PAH) Anthracene (A678400). |
Molecular Weight: | 278.35 |
Molecular Formula: | C19H18O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)CCC2=C3C=CC=CC3=CC4=CC=CC=C42 |
InChI: | InChI=1S/C24H20O/c1-17-10-12-18(13-11-17)24(25)15-14-23-21-8-4-2-6-19(21)16-20-7-3-5-9-22(20)23/h2-13,16H,14-15H2,1H3 |
InChI Key: | NFSSIRBKTMVUKV-UHFFFAOYSA-N |
Appearance: | Light Brown Solid |
Complexity: | 425 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.151415257 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.151415257 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.4 |
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