1,1-diethoxy-2-nitroethane

1,1-diethoxy-2-nitroethane

CAS: 34560-16-2

Formula: C6H13NO4

SMILES: CCOC(C[N+]([O-])=O)OCC

IUPAC: 1,1-diethoxy-2-nitroethane

InChI: InChI=1S/C6H13NO4/c1-3-10-6(11-4-2)5-7(8)9/h6H,3-5H2,1-2H3

Composition: C (44.17%), H (8.03%), N (8.58%), O (39.22%)

Molar Mass: 163.173

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	163.084457903
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MDYWSMNYPFOQOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.91
Topological Polar Surface Area	61.6
Polarizability	15.2
Ring Count	0
Rotatable Bond Count	6

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