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piperonyl acetate

piperonyl acetate

CAS: 326-61-4

Formula: C10H10O4

SMILES: CC(=O)OCC1=CC2=C(OCO2)C=C1

IUPAC: (2H-1,3-benzodioxol-5-yl)methyl acetate

InChI: InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3

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 N/A
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 3
Hydrogen Bond Donor Count 0
InChIKey PFWYHTORQZAGCA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.79
Topological Polar Surface Area 44.76
Polarizability 19.12
Ring Count 2
Rotatable Bond Count 3

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