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8,8-Dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one

PubChem CID: 44556806

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Compound Synonyms CHEMBL3426665
Topological Polar Surface Area 35.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 537.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one
Prediction Hob 1.0
Xlogp 4.8
Molecular Formula C19H20O3
Prediction Swissadme 1.0
Inchi Key AHNJHIHTDFTTJW-UHFFFAOYSA-N
Fcsp3 0.3157894736842105
Logs -5.456
Rotatable Bond Count 2.0
Logd 4.433
Compound Name 8,8-Dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one
Prediction Hob Swissadme 1.0
Exact Mass 296.141
Formal Charge 0.0
Monoisotopic Mass 296.141
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 296.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.8159328363636362
Inchi InChI=1S/C19H20O3/c1-12(2)5-6-14-11-13-7-8-16(20)21-17(13)15-9-10-19(3,4)22-18(14)15/h5,7-11H,6H2,1-4H3
Smiles CC(=CCC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CC(O2)(C)C)C
Nring 3.0
Defined Bond Stereocenter Count 0.0