sodium 1-cyano-3-ethoxy-2,3-dioxopropan-1-ide

sodium 1-cyano-3-ethoxy-2,3-dioxopropan-1-ide

CAS: 53544-13-1

Formula: C6H6NNaO3

SMILES: [Na+].CCOC(=O)C(=O)[CH-]C#N

IUPAC: sodium 1-cyano-3-ethoxy-2,3-dioxopropan-1-ide

InChI: InChI=1S/C6H6NO3.Na/c1-2-10-6(9)5(8)3-4-7;/h3H,2H2,1H3;/q-1;+1

Composition: C (44.18%), H (3.71%), N (8.59%), Na (14.09%), O (29.43%)

Molar Mass: 163.108

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	163.02453734
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OFVBNFHLHRQPLC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.6
Topological Polar Surface Area	67.16
Polarizability	12.46
Ring Count	0
Rotatable Bond Count	4

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