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MRS1041

CAT: 0013-GTR19193456-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193456-01Size:25 mg
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Description
MRS1041 is a bioactive small molecule compound utilized in biochemical research. It has been employed in in vitro studies to investigate its interactions with specific protein targets, contributing to research in fields such as cell signaling and pharmacology.
CAS Number
176220-89-6
Smiles
O=C1C (OCC) =C (OC2=CC (OCC) =CC (OCC) =C21) C=3C=CC=CC3
Molecular Formula
C21H22O5
Molecular Weight
354.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mrs1041
CAS Number176220-89-6
PubChem CID10247549
IUPAC Name3,5,7-triethoxy-2-phenylchromen-4-one
Molecular FormulaC21H22O5
Molecular Weight354.4
XLogP4.4
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity509
SMILES
CCOC1=CC2=C(C(=C1)OCC)C(=O)C(=C(O2)C3=CC=CC=C3)OCC
InChI
InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
InChIKey
YMQQPRDUZIXHBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrs1041
CAS: 176220-89-6
CID: 10247549
Formula: C21H22O5
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass354.14672380
Monoisotopic Mass354.14672380
Topological Polar Surface Area54 Ų
Heavy Atom Count26
Formal Charge0
Complexity509
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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