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(²H??)octanoic acid

(²H??)octanoic acid

CAS: 69974-55-6

Formula: C8H16O2

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

IUPAC: (²H??)octanoic acid

InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2

Composition: C (60.32%), H (0.63%), [2H] (18.96%), O (20.09%)

Molar Mass: 159.306

Atom Count: 26

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 159.209180944
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WWZKQHOCKIZLMA-PMELWRBQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.28
Topological Polar Surface Area 37.3
Polarizability 15.98
Ring Count 0
Rotatable Bond Count 6

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 69974-55-6 $59.16-$319.26$59.16$118.32$319.26
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