Tetradecanophenone - CAS 4497-05-6
Catalog: |
BB025733 |
Product Name: |
Tetradecanophenone |
CAS: |
4497-05-6 |
Synonyms: |
1-Tetradecanone, 1-phenyl-; 1-Phenyl-1-tetradecanone; Myristophenone; NSC 18795; Phenyl tridecyl ketone; Tridecyl phenyl ketone |
IUPAC Name: | 1-phenyltetradecan-1-one |
Molecular Weight: | 288.47 |
Molecular Formula: | C20H32O |
Canonical SMILES: | CCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3 |
InChI Key: | LXUIUVLDNRQBQJ-UHFFFAOYSA-N |
Boiling Point: | 212°C at 12 Torr |
Melting Point: | 55.5°C |
Density: | 0.904±0.06 g/cm3 |
LogP: | 6.57040 |
Publication Number | Title | Priority Date |
CN-111254774-A | Municipal asphalt concrete pavement construction method | 20200214 |
JP-2020038210-A | Temperature indicator | 20191029 |
WO-2020196073-A1 | Reversible thermochromic microcapsule pigment | 20190328 |
JP-2019112645-A | stamp | 20190225 |
WO-2020085358-A1 | Reversible thermochromic microcapsule pigment for ink and reversible thermochromic aqueous ink composition using same | 20181024 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.24531564 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.24531564 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.8 |
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