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4'-Methoxychalcone

CAT: 0931-T7443-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T7443-01Size:1 g
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CAS Number
959-23-9
Target
PARP
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair
Purity
0.9986
Bioactivity
4'-Methoxychalcone with a variety of pharmacological activities, such as anti-tumor and anti-inflammatory activities.
Smiles
COC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1
Molecular Formula
C16H14O2
Molecular Weight
238.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4'-Methoxychalcone

4'-Methoxychalcone is a member of chalcones.

CAS Number959-23-9
PubChem CID641818
IUPAC Name(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
Molecular FormulaC16H14O2
Molecular Weight238.28
XLogP3.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity281
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
InChIKey
KJHHAPASNNVTSN-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of 4'-Methoxychalcone
CAS: 959-23-9
CID: 641818
Formula: C16H14O2
MW: 238.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight238.28
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass238.099379685
Monoisotopic Mass238.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes