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sodium (2-¹³C)acetate

sodium (2-¹³C)acetate

CAS: 13291-89-9

Formula: C2H3NaO2

SMILES: [Na+].[13CH3]C([O-])=O

IUPAC: sodium (2-¹³C)acetate

InChI: InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i1+1;

Composition: C (14.47%), [13C] (15.66%), H (3.64%), Na (27.69%), O (38.54%)

Molar Mass: 83.026

Atom Count: 8

Heavy Atom Count: 5

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 83.00642845
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VMHLLURERBWHNL-YTBWXGASSA-M
Lipinski's Rule of Five 1
Molar Refractivity 23.48
Topological Polar Surface Area 40.13
Polarizability 4.91
Ring Count 0
Rotatable Bond Count 0

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