Octanophenone - CAS 1674-37-9
Catalog: |
BB012394 |
Product Name: |
Octanophenone |
CAS: |
1674-37-9 |
Synonyms: |
1-phenyloctan-1-one |
IUPAC Name: | 1-phenyloctan-1-one |
Description: | Octanophenone (CAS# 1674-37-9) is a useful research chemical. |
Molecular Weight: | 204.31 |
Molecular Formula: | C14H20O |
Canonical SMILES: | CCCCCCCC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3 |
InChI Key: | UDEVCZRUNOLVLU-UHFFFAOYSA-N |
Boiling Point: | 285-290 °C (lit.) |
Melting Point: | 21.5-23.5 °C (lit.) |
Purity: | 95 % |
Density: | 0.936 g/mL at 25 °C (lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD00003554 |
LogP: | 4.22980 |
Publication Number | Title | Priority Date |
WO-2020209118-A1 | Reversibly thermochromic aqueous ink composition for writing utensils, and refill and water-based ballpoint pen each internally containing same | 20190411 |
WO-2020203603-A1 | Reversible thermochromic composition, reversible thermochromic microcapsule pigment comprising same, and writing instrument using same | 20190329 |
CN-111499503-A | Method for synthesizing α -alkylated ketone in water | 20190131 |
WO-2020085358-A1 | Reversible thermochromic microcapsule pigment for ink and reversible thermochromic aqueous ink composition using same | 20181024 |
WO-2019216355-A1 | Method for converting hydroxyl group of alcohol | 20180509 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.151415257 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.151415257 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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