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(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one

(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one

CAS: 19879-32-4

Formula: C20H20O4

SMILES: CC(C)=CCC1=C(O)C=C2O[C@@H](CC(=O)C2=C1)C1=CC=C(O)C=C1

IUPAC: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one

InChI: InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1

Composition: C (74.06%), H (6.22%), O (19.73%)

Molar Mass: 324.376

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 324.136159124
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OAUREGNZECGNQS-IBGZPJMESA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.55
Topological Polar Surface Area 66.76
Polarizability 35.61
Ring Count 3
Rotatable Bond Count 3

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