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3-(3-phenylprop-2-en-1-yl)pentane-2,4-dione

3-(3-phenylprop-2-en-1-yl)pentane-2,4-dione

CAS: 29638-71-9

Formula: C14H16O2

SMILES: CC(=O)C(CC=CC1=CC=CC=C1)C(C)=O

IUPAC: 3-(3-phenylprop-2-en-1-yl)pentane-2,4-dione

InChI: InChI=1S/C14H16O2/c1-11(15)14(12(2)16)10-6-9-13-7-4-3-5-8-13/h3-9,14H,10H2,1-2H3

Composition: C (77.75%), H (7.46%), O (14.79%)

Molar Mass: 216.28

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.115029755
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PGEPOVPAPVUGAJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.68
Topological Polar Surface Area 34.14
Polarizability 24.97
Ring Count 1
Rotatable Bond Count 5

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