2-Phenyltridecane - CAS 4534-53-6
Catalog: |
BB054334 |
Product Name: |
2-Phenyltridecane |
CAS: |
4534-53-6 |
Synonyms: |
Benzene, (1-methyldodecyl)-; Tridecane, 2-phenyl-; (Tridecan-2-yl)benzene; (1-Methyldodecyl)benzene; 2-Tridecanylbenzene; 2-Tridecanylbenzol |
IUPAC Name: | tridecan-2-ylbenzene |
Description: | 2-Phenyltridecane is a natural product found in Acca sellowiana. |
Molecular Weight: | 260.46 |
Molecular Formula: | C19H32 |
Canonical SMILES: | CCCCCCCCCCCC(C)C1=CC=CC=C1 |
InChI: | InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3 |
InChI Key: | FCXPVFLEDIQLLO-UHFFFAOYSA-N |
Boiling Point: | 339.6±9.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 0.855±0.1 g/cm3 |
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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