(1,1,2,2,2-²H?)ethyl (²H?)acetate

(1,1,2,2,2-²H?)ethyl (²H?)acetate

CAS: 117121-81-0

Formula: C4H8O2

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

IUPAC: (1,1,2,2,2-²H?)ethyl (²H?)acetate

InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i1D3,2D3,3D2

Composition: C (49.97%), H (0.00%), [2H] (16.76%), O (33.28%)

Molar Mass: 96.155

Atom Count: 14

Heavy Atom Count: 6

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	96.102643465
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XEKOWRVHYACXOJ-AUOAYUKBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	22.16
Topological Polar Surface Area	26.3
Polarizability	8.89
Ring Count	0
Rotatable Bond Count	2

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