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1-(2H-1,3-benzodioxol-5-yl)-3-(pyridin-3-yl)propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-(pyridin-3-yl)propan-1-one

Formula: C15H13NO3

SMILES: O=C(CCC1=CC=CN=C1)C1=CC2=C(OCO2)C=C1

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

InChI: InChI=1S/C15H13NO3/c17-13(5-3-11-2-1-7-16-9-11)12-4-6-14-15(8-12)19-10-18-14/h1-2,4,6-9H,3,5,10H2

Composition: C (70.58%), H (5.13%), N (5.49%), O (18.80%)

Molar Mass: 255.273

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 255.089543283
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OVNHMECRNRBCPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.39
Topological Polar Surface Area 48.42
Polarizability 27.06
Ring Count 3
Rotatable Bond Count 4

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C15H13NO3 $1,301.00-$2,420.00$1,301.00$1,901.00$2,420.00
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