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6-Hydroxy-7,8-dimethoxycoumarin

PubChem CID: 11345068

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Compound Synonyms 6-hydroxy-7,8-dimethoxycoumarin, 6-hydroxy-7,8-dimethoxy-chromen-2-one, CHEMBL469432, 7,8-Dimethoxy-6-hydroxy cumarine
Topological Polar Surface Area 65.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 301.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6-hydroxy-7,8-dimethoxychromen-2-one
Prediction Hob 1.0
Xlogp 1.5
Molecular Formula C11H10O5
Prediction Swissadme 0.0
Inchi Key ULJXDXSBXDSMLE-UHFFFAOYSA-N
Fcsp3 0.1818181818181818
Logs -2.292
Rotatable Bond Count 2.0
Logd 1.393
Compound Name 6-Hydroxy-7,8-dimethoxycoumarin
Prediction Hob Swissadme 0.0
Exact Mass 222.053
Formal Charge 0.0
Monoisotopic Mass 222.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 222.19
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -1.4284151999999997
Inchi InChI=1S/C11H10O5/c1-14-10-7(12)5-6-3-4-8(13)16-9(6)11(10)15-2/h3-5,12H,1-2H3
Smiles COC1=C(C=C2C=CC(=O)OC2=C1OC)O
Nring 2.0
Defined Bond Stereocenter Count 0.0