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(²H?)pyren-1-ol

(²H?)pyren-1-ol

CAS: 132603-37-3

Formula: C16H10O

SMILES: [2H]C1=C([2H])C2=C3C(C([2H])=C([2H])C4=C3C(C([2H])=C2[2H])=C(O)C([2H])=C4[2H])=C1[2H]

IUPAC: (²H?)pyren-1-ol

InChI: InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H/i1D,2D,3D,4D,5D,6D,7D,8D,9D

Composition: C (84.54%), H (0.44%), [2H] (7.97%), O (7.04%)

Molar Mass: 227.31

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 227.129655655
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BIJNHUAPTJVVNQ-LOIXRAQWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.7
Topological Polar Surface Area 20.23
Polarizability 30.43
Ring Count 4
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 132603-37-3 $539.35-$1,359.30$539.35$1,359.30
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