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2,3-Dimethoxy-2'-hydroxychalcone

CAT: 0926-FD67160-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FD67160-02Size:5 g
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CAS Number
42220-80-4
Synonyms
2'-Hydroxy-2,3-dimethoxychalcone
MDL Number
MFCD00016444
Smiles
COC1=CC=CC (=C1OC) /C=C/C (=O) C2=CC=CC=C2O
Molecular Formula
C17H16O4
Molecular Weight
284.31 g/mol
Controlled
No

Chemical Information

2,3-Dimethoxy-2'-hydroxychalcone
CAS Number42220-80-4
PubChem CID6296545
IUPAC Name(E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP3.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity366
SMILES
COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C17H16O4/c1-20-16-9-5-6-12(17(16)21-2)10-11-15(19)13-7-3-4-8-14(13)18/h3-11,18H,1-2H3/b11-10+
InChIKey
HKKXNGSRSNONCJ-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethoxy-2'-hydroxychalcone
CAS: 42220-80-4
CID: 6296545
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass284.10485899
Monoisotopic Mass284.10485899
Topological Polar Surface Area55.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity366
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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