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(²H??)benzo[e]pyrene

(²H??)benzo[e]pyrene

CAS: 205440-82-0

Formula: C20H12

SMILES: [2H]C1=C([2H])C2=C(C([2H])=C1[2H])C1=C3C(C([2H])=C([2H])C4=C([2H])C([2H])=C([2H])C2=C34)=C([2H])C([2H])=C1[2H]

IUPAC: (²H??)benzo[e]pyrene

InChI: InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

Composition: C (90.86%), H (0.00%), [2H] (9.14%)

Molar Mass: 264.389

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 264.1692213372
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey TXVHTIQJNYSSKO-AQZSQYOVSA-N
Lipinski's Rule of Five
Molar Refractivity 83.17
Topological Polar Surface Area 0
Polarizability 37.74
Ring Count 5
Rotatable Bond Count 0

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