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(²H?)methylbenzene

(²H?)methylbenzene

CAS: 1124-18-1

Formula: C7H8

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

IUPAC: (²H?)methylbenzene

InChI: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3

Composition: C (88.35%), H (5.30%), [2H] (6.35%)

Molar Mass: 95.159

Atom Count: 15

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 95.0814304953
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YXFVVABEGXRONW-FIBGUPNXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.1
Topological Polar Surface Area 0
Polarizability 12.17
Ring Count 1
Rotatable Bond Count 0

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