4-(Benzyloxy)cyclohexanone - CAS 2987-06-6
Catalog: |
BB020355 |
Product Name: |
4-(Benzyloxy)cyclohexanone |
CAS: |
2987-06-6 |
Synonyms: |
4-phenylmethoxy-1-cyclohexanone; 4-phenylmethoxycyclohexan-1-one |
IUPAC Name: | 4-phenylmethoxycyclohexan-1-one |
Description: | 4-(Benzyloxy)cyclohexanone (CAS# 2987-06-6) is a compound useful in organic synthesis. |
Molecular Weight: | 204.26 |
Molecular Formula: | C13H16O2 |
Canonical SMILES: | C1CC(=O)CCC1OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H16O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2 |
InChI Key: | FFGVIYUANJAFJS-UHFFFAOYSA-N |
Boiling Point: | 319.923 °C at 760 mmHg |
Density: | 1.073 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD10697867 |
LogP: | 2.71490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021046434-A | A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them. | 20201207 |
JP-2021054833-A | A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them. | 20201207 |
JP-2021054834-A | A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them. | 20201207 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
WO-2020198058-A1 | Inhibitors of raf kinases | 20190322 |
Complexity: | 197 |
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: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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