3-Phenyldodecane - CAS 2400-00-2
Catalog: |
BB054328 |
Product Name: |
3-Phenyldodecane |
CAS: |
2400-00-2 |
Synonyms: |
(1-Ethyldecyl)benzene; 1-(dodecan-3-yl)benzene; Benzene, (1-ethyldecyl)-; Dodecane, 3-phenyl-; 3-Dodecanylbenzene; 3-Dodecanylbenzol |
IUPAC Name: | dodecan-3-ylbenzene |
Molecular Weight: | 246.43 |
Molecular Formula: | C18H30 |
Canonical SMILES: | CCCCCCCCCC(CC)C1=CC=CC=C1 |
InChI: | InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3 |
InChI Key: | PGVOXXHNGYYHHB-UHFFFAOYSA-N |
Boiling Point: | 127°C at 0.8 Torr |
Purity: | ≥95% |
Density: | 0.8466 g/cm3 at 30°C |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.234750957 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.234750957 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.9 |
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