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alpinetin

alpinetin

CAS: 36052-37-6

Formula: C16H14O4

SMILES: COC1=C2C(=O)C[C@H](OC2=CC(O)=C1)C1=CC=CC=C1

IUPAC: (2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

InChI: InChI=1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3/t13-/m0/s1

Composition: C (71.10%), H (5.22%), O (23.68%)

Molar Mass: 270.284

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names alpinetin
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 270.089208931
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QQQCWVDPMPFUGF-ZDUSSCGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.79
Topological Polar Surface Area 55.76
Polarizability 28.57
Ring Count 3
Rotatable Bond Count 2

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