3-Phenylcyclopentanone - CAS 64145-51-3
Catalog: |
BB032377 |
Product Name: |
3-Phenylcyclopentanone |
CAS: |
64145-51-3 |
Synonyms: |
3-phenyl-1-cyclopentanone; 3-phenylcyclopentan-1-one |
IUPAC Name: | 3-phenylcyclopentan-1-one |
Description: | 3-Phenylcyclopentanone (CAS# 64145-51-3 ) is a useful research chemical. |
Molecular Weight: | 160.21 |
Molecular Formula: | C11H12O |
Canonical SMILES: | C1CC(=O)CC1C2=CC=CC=C2 |
InChI: | InChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
InChI Key: | MFBXYJLOYZMFIN-UHFFFAOYSA-N |
Boiling Point: | 276.102 °C at 760 mmHg |
Density: | 1.072 g/cm3 |
LogP: | 2.52320 |
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 |
WO-2021208963-A1 | Bcl-2 inhibitor | 20200415 |
WO-2020204733-A1 | A solvent drying composition and processes therfor | 20190403 |
WO-2020086533-A1 | 5-membered heteroaryl carboxamide compounds for treatment of hbv | 20181022 |
TW-202028190-A | 5-membered heteroaryl carboxamide compounds for treatment of hbv | 20181022 |
EP-3870296-A1 | 5-membered heteroaryl carboxamide compounds for treatment of hbv | 20181022 |
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: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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