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Phenoxyacetone

CAT: 0931-T25944Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T25944Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
621-87-4
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Purity
0.9853
Bioactivity
Phenoxyacetone (NSC-1876) is an inhibitor of acetylcholinesterase.
Smiles
O(CC(C)=O)C1=CC=CC=C1
Molecular Formula
C9H10O2
Molecular Weight
150.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
MBS5775677Phenoxyacetone

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