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1-(²H?)methyl-2-[(²H)oxy](²H?)benzene

1-(²H?)methyl-2-[(²H)oxy](²H?)benzene

CAS: 203645-65-2

Formula: C7H8O

SMILES: [2H]OC1=C([2H])C([2H])=C([2H])C([2H])=C1C([2H])([2H])[2H]

IUPAC: 1-(²H?)methyl-2-[(²H)oxy](²H?)benzene

InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3/i1D3,2D,3D,4D,5D/hD

Composition: C (72.36%), H (0.00%), [2H] (13.87%), O (13.77%)

Molar Mass: 116.189

Atom Count: 16

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 116.107728845
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QWVGKYWNOKOFNN-IWRLGKISSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.08
Topological Polar Surface Area 20.23
Polarizability 12.71
Ring Count 1
Rotatable Bond Count 0

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Purity (%)
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Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 203645-65-2 $410.55-$561.20$410.55$561.20
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