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5,7-dimethoxy-2,2-dimethylchromene

CAT: 0013-GTR19228768-01Size: 1 mgDry Ice: NoHazardous: No
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Description
5,7-Dimethoxy-2,2-dimethylchromene is a research chemical utilized in life science studies. It serves as a key intermediate or reference standard in pharmacological research, particularly in investigations of biological activity within in vitro assay systems.
CAS Number
21421-66-9
Smiles
O (C=1C=C (OC) C=2C=CC (OC2C1) (C) C) C
Molecular Formula
C13H16O3
Molecular Weight
220.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,7-Dimethoxy-2,2-dimethylchromene
CAS Number21421-66-9
PubChem CID179366
IUPAC Name5,7-dimethoxy-2,2-dimethylchromene
Molecular FormulaC13H16O3
Molecular Weight220.26
XLogP2.8
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity272
SMILES
CC1(C=CC2=C(O1)C=C(C=C2OC)OC)C
InChI
InChI=1S/C13H16O3/c1-13(2)6-5-10-11(15-4)7-9(14-3)8-12(10)16-13/h5-8H,1-4H3
InChIKey
LNNCIJIARMEHGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dimethoxy-2,2-dimethylchromene
CAS: 21421-66-9
CID: 179366
Formula: C13H16O3
MW: 220.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.26
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass220.109944368
Monoisotopic Mass220.109944368
Topological Polar Surface Area27.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity272
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

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