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(²H?)phenol

(²H?)phenol

CAS: 4165-62-2

Formula: C6H6O

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

IUPAC: (²H?)phenol

InChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D

Composition: C (72.69%), H (1.02%), [2H] (10.16%), O (16.14%)

Molar Mass: 99.144

Atom Count: 13

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 99.073248543
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ISWSIDIOOBJBQZ-RALIUCGRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.04
Topological Polar Surface Area 20.23
Polarizability 10.94
Ring Count 1
Rotatable Bond Count 0

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Purity (%)
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Ships Within
Days
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CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 4165-62-2 $46.92-$412.08$46.92$88.74$412.08
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