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kakuol

kakuol

CAS: 18607-90-4

Formula: C10H10O4

SMILES: CCC(=O)C1=C(O)C=C2OCOC2=C1

IUPAC: 1-(6-hydroxy-2H-1,3-benzodioxol-5-yl)propan-1-one

InChI: InChI=1S/C10H10O4/c1-2-7(11)6-3-9-10(4-8(6)12)14-5-13-9/h3-4,12H,2,5H2,1H3

Composition: C (61.85%), H (5.19%), O (32.96%)

Molar Mass: 194.186

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names kakuol
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.057908802
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey SLLMHZXMVHNZOR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.84
Topological Polar Surface Area 55.76
Polarizability 19.02
Ring Count 2
Rotatable Bond Count 2

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