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9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one

PubChem CID: 11310556

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Compound Synonyms 5-methoxy-6,7-methylenedioxycoumarin, 9-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one, 9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one, CHEMBL596222
Topological Polar Surface Area 54.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 326.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 9-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one
Prediction Hob 1.0
Xlogp 1.7
Molecular Formula C11H8O5
Prediction Swissadme 0.0
Inchi Key JMFRFNCBVYLQJY-UHFFFAOYSA-N
Fcsp3 0.1818181818181818
Logs -2.475
Rotatable Bond Count 1.0
Logd 1.498
Compound Name 9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one
Prediction Hob Swissadme 0.0
Exact Mass 220.037
Formal Charge 0.0
Monoisotopic Mass 220.037
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 220.18
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -1.601616
Inchi InChI=1S/C11H8O5/c1-13-10-6-2-3-9(12)16-7(6)4-8-11(10)15-5-14-8/h2-4H,5H2,1H3
Smiles COC1=C2C=CC(=O)OC2=CC3=C1OCO3
Nring 3.0
Defined Bond Stereocenter Count 0.0