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CS-0045569

CAT: 0931-T71971-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71971-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1268024-07-2
Target
Others
Related Pathways
Others
Bioactivity
CS-0045569, also known ZUN24972, is an important chemical intermediate for drug synthesis. It was reported in WO 2020086857 (compound 27, page 57) as an intermediate for synthesis of WDR5 inhibitor.
Smiles
COC(=O)c1cc2OC(O)Cc2c(c1)C(=O)OC
Molecular Formula
C12H12O6
Molecular Weight
252.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dimethyl 2-hydroxy-2,3-dihydrobenzofuran-4,6-dicarboxylate
CAS Number1268024-07-2
PubChem CID68025264
IUPAC Namedimethyl 2-hydroxy-2,3-dihydro-1-benzofuran-4,6-dicarboxylate
Molecular FormulaC12H12O6
Molecular Weight252.22
XLogP1.1
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity341
SMILES
COC(=O)C1=CC(=C2CC(OC2=C1)O)C(=O)OC
InChI
InChI=1S/C12H12O6/c1-16-11(14)6-3-8(12(15)17-2)7-5-10(13)18-9(7)4-6/h3-4,10,13H,5H2,1-2H3
InChIKey
ZXPCVOXTVBVAIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl 2-hydroxy-2,3-dihydrobenzofuran-4,6-dicarboxylate
CAS: 1268024-07-2
CID: 68025264
Formula: C12H12O6
MW: 252.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.22
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass252.06338810
Monoisotopic Mass252.06338810
Topological Polar Surface Area82.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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