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2'-​Hydroxy-​2-​methoxychalcone

CAT: 0931-T7432-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T7432-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42220-77-9
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9984
Bioactivity
2'-Hydroxy-2-methoxychalcone is a synthetic chalcone with antibacterial activity.
Smiles
COc1ccccc1C=CC(=O)c1ccccc1O
Molecular Formula
C16H14O3
Molecular Weight
254.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-Hydroxy-2-methoxychalcone
CAS Number42220-77-9
PubChem CID5709142
IUPAC Name(E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC16H14O3
Molecular Weight254.28
XLogP3.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity324
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H14O3/c1-19-16-9-5-2-6-12(16)10-11-15(18)13-7-3-4-8-14(13)17/h2-11,17H,1H3/b11-10+
InChIKey
SNTIPKTZVAKPOX-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of 2'-Hydroxy-2-methoxychalcone
CAS: 42220-77-9
CID: 5709142
Formula: C16H14O3
MW: 254.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.28
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass254.094294304
Monoisotopic Mass254.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity324
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

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