3-Phenylundecane - CAS 4536-87-2
Catalog: |
BB054324 |
Product Name: |
3-Phenylundecane |
CAS: |
4536-87-2 |
Synonyms: |
Benzene, (1-ethylnonyl)-; Undecane, 3-phenyl-; (1-Ethylnonyl)benzene; 3-Undecanylbenzene; 3-Undecanylbenzol |
IUPAC Name: | undecan-3-ylbenzene |
Molecular Weight: | 232.40 |
Molecular Formula: | C17H28 |
Canonical SMILES: | CCCCCCCCC(CC)C1=CC=CC=C1 |
InChI: | InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3 |
InChI Key: | NVHBFHMWJJMQTG-UHFFFAOYSA-N |
Boiling Point: | 306.5±9.0°C (Predicted) |
Purity: | ≥95% |
Density: | 0.855±0.06 g/cm3 (Predicted) |
Storage: | Store at 2-8°C |
Complexity: | 155 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.4 |
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