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1-ethenyl(²H?)benzene

1-ethenyl(²H?)benzene

CAS: 5161-29-5

Formula: C8H8

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

IUPAC: 1-ethenyl(²H?)benzene

InChI: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i3D,4D,5D,6D,7D

Composition: C (88.01%), H (2.77%), [2H] (9.22%)

Molar Mass: 109.183

Atom Count: 16

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 109.0939839871
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey PPBRXRYQALVLMV-DKFMXDSJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.74
Topological Polar Surface Area 0
Polarizability 13.87
Ring Count 1
Rotatable Bond Count 1

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Purity (%)
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Ships Within
Days
Packet Size
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 5161-29-5 $109.14-$886.38$109.14$886.38
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