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MRS1065

CAT: 0013-GTR19193453-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193453-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRS1065
CAS Number
22912-64-7
Smiles
O (C) C=1C2=C (C=C3C1C=CO3) OC (/C=C/C4=CC=CC=C4) =CC2=O
Molecular Formula
C20H14O4
Molecular Weight
318.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mrs1065
CAS Number22912-64-7
PubChem CID10710647
IUPAC Name4-methoxy-7-[(E)-2-phenylethenyl]furo[3,2-g]chromen-5-one
Molecular FormulaC20H14O4
Molecular Weight318.3
XLogP4.2
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C20H14O4/c1-22-20-15-9-10-23-17(15)12-18-19(20)16(21)11-14(24-18)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
InChIKey
HTBFQFPYNPJVLO-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Mrs1065
CAS: 22912-64-7
CID: 10710647
Formula: C20H14O4
MW: 318.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.3
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass318.08920892
Monoisotopic Mass318.08920892
Topological Polar Surface Area48.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity532
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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