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Phenoxyacetone

CAT: 0013-GTR19216646-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216646-01Size:1 g
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Description
Phenoxyacetone is an inhibitor of acetylcholinesterase.
CAS Number
621-87-4
Product Name Alternative
NSC 1876 | NSC-1876 | NSC1876
Purity
>98% (HPLC)
Smiles
CC (=O) COc1ccccc1
Molecular Formula
C9H10O2
Molecular Weight
150.177
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1-Phenoxy-2-propanone
CAS Number621-87-4
PubChem CID69313
IUPAC Name1-phenoxypropan-2-one
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
CC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
QWAVNXZAQASOML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenoxy-2-propanone
CAS: 621-87-4
CID: 69313
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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