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P-Phenylpropiophenone

CAT: 0931-T20567-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20567-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37940-57-1
Target
Others
Related Pathways
Others
Bioactivity
P-Phenylpropiophenone is anticipated as an energy sink.
Smiles
CCC(=O)c1ccc(cc1)-c1ccccc1
Molecular Formula
C15H14O
Molecular Weight
210.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

p-Phenylpropiophenone
CAS Number37940-57-1
PubChem CID95230
IUPAC Name1-(4-phenylphenyl)propan-1-one
Molecular FormulaC15H14O
Molecular Weight210.27
XLogP4.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity220
SMILES
CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H14O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey
JMBGDQSXJHLFTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Phenylpropiophenone
CAS: 37940-57-1
CID: 95230
Formula: C15H14O
MW: 210.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.27
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass210.104465066
Monoisotopic Mass210.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity220
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