6-Phenyltridecane - CAS 4534-49-0
Catalog: |
BB054330 |
Product Name: |
6-Phenyltridecane |
CAS: |
4534-49-0 |
Synonyms: |
(1-Pentyloctyl)benzene; 1-Pentyloctylbenzene; Benzene, (1-pentyloctyl)-; Tridecane, 6-phenyl-; 6-Tridecanylbenzene; 6-Tridecanylbenzol |
IUPAC Name: | tridecan-6-ylbenzene |
Description: | 6-Phenyltridecane is a natural product found in Acca sellowiana. |
Molecular Weight: | 260.46 |
Molecular Formula: | C19H32 |
Canonical SMILES: | CCCCCCCC(CCCCC)C1=CC=CC=C1 |
InChI: | InChI=1S/C19H32/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3 |
InChI Key: | OTSYFFDVDLHIKX-UHFFFAOYSA-N |
Boiling Point: | 339.6±9.0°C (Predicted) |
Purity: | ≥95% |
Density: | 0.855±0.06 g/cm3 (Predicted) |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.250401021 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.250401021 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.5 |
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