2-(3-Methoxyphenyl)cyclohexanone - CAS 15547-89-4
Catalog: |
BB011123 |
Product Name: |
2-(3-Methoxyphenyl)cyclohexanone |
CAS: |
15547-89-4 |
Synonyms: |
2-(3-methoxyphenyl)cyclohexan-1-one |
IUPAC Name: | 2-(3-methoxyphenyl)cyclohexan-1-one |
Description: | 2-(3-Methoxyphenyl)cyclohexanone (CAS# 15547-89-4 ) is a useful research chemical. |
Molecular Weight: | 204.26 |
Molecular Formula: | C13H16O2 |
Canonical SMILES: | COC1=CC=CC(=C1)C2CCCCC2=O |
InChI: | InChI=1S/C13H16O2/c1-15-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14/h4-6,9,12H,2-3,7-8H2,1H3 |
InChI Key: | KACQSVYTBQDRGP-UHFFFAOYSA-N |
Boiling Point: | 332.6 °C at 760 mmHg |
Density: | 1.1 g/mL at 25 °C(lit.) |
Appearance: | Clear colorless liquid |
MDL: | MFCD00001630 |
LogP: | 2.92190 |
Publication Number | Title | Priority Date |
CN-111233599-A | Aromatic ring ortho-iodoalkanone and synthetic method and application thereof | 20200207 |
CN-111233599-B | Aromatic ring ortho-iodoalkanone and synthetic method and application thereof | 20200207 |
CN-109232149-A | A kind of synthetic method of the alpha-fluoro with fluorine-containing quaternary carbon center structure-alpha-substituted ketone | 20180813 |
CN-109232149-B | Synthetic method of alpha-fluoro-alpha-substituted ketone with fluorine-containing quaternary carbon central structure | 20180813 |
WO-2019192602-A1 | Aromatic compound and preparation method therefor and use thereof | 20180404 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.115029749 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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