6-Phenylundecane - CAS 4537-14-8
Catalog: |
BB054344 |
Product Name: |
6-Phenylundecane |
CAS: |
4537-14-8 |
Synonyms: |
Benzene, (1-pentylhexyl)-; Undecane, 6-phenyl-; (1-Pentylhexyl)benzene; alpha-pentylhexylbenzene; 6-Undecanylbenzene; 6-Undecanylbenzol |
IUPAC Name: | undecan-6-ylbenzene |
Molecular Weight: | 232.40 |
Molecular Formula: | C17H28 |
Canonical SMILES: | CCCCCC(CCCCC)C1=CC=CC=C1 |
InChI: | InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3 |
InChI Key: | WCABIRIFXVXGQH-UHFFFAOYSA-N |
Boiling Point: | 306.5±9.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 0.8038±0.1 g/cm3 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.219100893 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.219100893 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.4 |
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