2-Phenylcyclopentan-1-one - CAS 1198-34-1
Catalog: |
BB058241 |
Product Name: |
2-Phenylcyclopentan-1-one |
CAS: |
1198-34-1 |
Synonyms: |
2-phenylcyclopentan-1-one; 2-phenylcyclopentanone; 2-Phenyl-cyclopentanone; 2-phenyl-cyclopentan-1-one; ghl.PD_Mitscher_leg0.592 |
IUPAC Name: | 2-phenylcyclopentan-1-one |
Description: | 2-Phenylcyclopentan-1-one is a useful compound for the green preparation of fluoroalkanones. |
Molecular Weight: | 160.21 |
Molecular Formula: | C11H12O |
Canonical SMILES: | C1CC(C(=O)C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H12O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
InChI Key: | NPELEPAOYMNNRW-UHFFFAOYSA-N |
Melting Point: | 35-37°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Low-Melting Solid |
Storage: | 4°C |
References: | Tang, S. Z., et al. Chem. Commun. (Cambridge, UK), 54, 12377 (2018). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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