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1-[(2,3,4,5,6-²H?)phenyl]propan-1-one

1-[(2,3,4,5,6-²H?)phenyl]propan-1-one

CAS: 54419-23-7

Formula: C9H10O

SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C(=O)CC

IUPAC: 1-[(2,3,4,5,6-²H?)phenyl]propan-1-one

InChI: InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i3D,4D,5D,6D,7D

Composition: C (77.65%), H (3.62%), [2H] (7.23%), O (11.49%)

Molar Mass: 139.209

Atom Count: 20

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 139.104548672
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KRIOVPPHQSLHCZ-DKFMXDSJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.09
Topological Polar Surface Area 17.07
Polarizability 15.92
Ring Count 1
Rotatable Bond Count 2

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97% <14 Days 54419-23-7 $138.72-$1,108.74$138.72$1,108.74
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